N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide

C32H38Cl3N7O4S — CID 158843441

IUPACN-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide
SMILESCCN(CC)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H11ClN2O.C12H18ClN3O.C7H9ClN2O2S/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;1-3-16(4-2)8-12(17)15-11-6-5-9(14)7-10(11)13;1-13(11,12)10-7-3-2-5(9)4-6(7)8/h1-8H,15H2,(H,16,17);5-7H,3-4,8,14H2,1-2H3,(H,15,17);2-4,10H,9H2,1H3
InChIKeyIYNMPBHEXBPTSW-UHFFFAOYSA-N
MW723.13 g/mol
LogP6.67
Rot. Bonds9

About N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide

N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide (PubChem CID 158843441) has the molecular formula C32H38Cl3N7O4S and a molecular weight of 723.13 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide
PubChem CID158843441
Molecular FormulaC32H38Cl3N7O4S
Molecular Weight723.13 g/mol
Exact Mass721.18
IUPAC NameN-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide
SMILESCCN(CC)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H11ClN2O.C12H18ClN3O.C7H9ClN2O2S/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;1-3-16(4-2)8-12(17)15-11-6-5-9(14)7-10(11)13;1-13(11,12)10-7-3-2-5(9)4-6(7)8/h1-8H,15H2,(H,16,17);5-7H,3-4,8,14H2,1-2H3,(H,15,17);2-4,10H,9H2,1H3
InChIKeyIYNMPBHEXBPTSW-UHFFFAOYSA-N
XLogP6.67
TPSA185.67 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.13
LogP ≤ 56.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide (CID 158843441) is N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide is CCN(CC)CC(=O)Nc1ccc(N)cc1Cl.CS(=O)(=O)Nc1ccc(N)cc1Cl.Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide?
The InChIKey is IYNMPBHEXBPTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.C12H18ClN3O.C7H9ClN2O2S/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;1-3-16(4-2)8-12(17)15-11-6-5-9(14)7-10(11)13;1-13(11,12)10-7-3-2-5(9)4-6(7)8/h1-8H,15H2,(H,16,17);5-7H,3-4,8,14H2,1-2H3,(H,15,17);2-4,10H,9H2,1H3.
What are the key properties of N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide?
N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide has a molecular weight of 723.13 g/mol, XLogP of 6.67, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)benzamide;N-(4-amino-2-chlorophenyl)-2-(diethylamino)acetamide;N-(4-amino-2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 158843441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).