N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine

C61H75Cl6N15O7S — CID 173259275

IUPACN-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine
SMILESCN(C)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(N)c(Cl)c1.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1.Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O.C13H11ClN2O.C12H16ClN3O2.C10H14ClN3O.C7H9ClN2O2S.C6H7ClN2/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;13-10-7-9(14)1-2-11(10)15-12(17)8-16-3-5-18-6-4-16;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11;1-13(11,12)10-7-3-2-5(9)4-6(7)8;7-5-3-4(8)1-2-6(5)9/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);1-8H,15H2,(H,16,17);1-2,7H,3-6,8,14H2,(H,15,17);3-5H,6,12H2,1-2H3,(H,13,15);2-4,10H,9H2,1H3;1-3H,8-9H2
InChIKeyJNMPWKJULSQEAN-UHFFFAOYSA-N
MW1375.15 g/mol
LogP10.93
Rot. Bonds13

About N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine

N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine (PubChem CID 173259275) has the molecular formula C61H75Cl6N15O7S and a molecular weight of 1375.15 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine
PubChem CID173259275
Molecular FormulaC61H75Cl6N15O7S
Molecular Weight1375.15 g/mol
Exact Mass1371.38
IUPAC NameN-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine
SMILESCN(C)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(N)c(Cl)c1.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1.Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O.C13H11ClN2O.C12H16ClN3O2.C10H14ClN3O.C7H9ClN2O2S.C6H7ClN2/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;13-10-7-9(14)1-2-11(10)15-12(17)8-16-3-5-18-6-4-16;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11;1-13(11,12)10-7-3-2-5(9)4-6(7)8;7-5-3-4(8)1-2-6(5)9/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);1-8H,15H2,(H,16,17);1-2,7H,3-6,8,14H2,(H,15,17);3-5H,6,12H2,1-2H3,(H,13,15);2-4,10H,9H2,1H3;1-3H,8-9H2
InChIKeyJNMPWKJULSQEAN-UHFFFAOYSA-N
XLogP10.93
TPSA363.66 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms90
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.15
LogP ≤ 510.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine?
The IUPAC name of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine (CID 173259275) is N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine?
The canonical SMILES for N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine is CN(C)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(N)c(Cl)c1.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1.Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine?
The InChIKey is JNMPWKJULSQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O.C13H11ClN2O.C12H16ClN3O2.C10H14ClN3O.C7H9ClN2O2S.C6H7ClN2/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;13-10-7-9(14)1-2-11(10)15-12(17)8-16-3-5-18-6-4-16;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11;1-13(11,12)10-7-3-2-5(9)4-6(7)8;7-5-3-4(8)1-2-6(5)9/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);1-8H,15H2,(H,16,17);1-2,7H,3-6,8,14H2,(H,15,17);3-5H,6,12H2,1-2H3,(H,13,15);2-4,10H,9H2,1H3;1-3H,8-9H2.
What are the key properties of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine?
N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine has a molecular weight of 1375.15 g/mol, XLogP of 10.93, 13 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide;N-(4-amino-2-chlorophenyl)-2-morpholin-4-ylacetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide;2-chlorobenzene-1,4-diamine is sourced from PubChem (CID 173259275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).