N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide

C23H32Cl2N6O2 — CID 162243839

IUPACN-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
SMILESCN(C)CC(=O)Nc1ccc(N)cc1Cl.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O.C10H14ClN3O/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyZXBGOTALMWWJQT-UHFFFAOYSA-N
MW495.46 g/mol
LogP3.77
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide

N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide (PubChem CID 162243839) has the molecular formula C23H32Cl2N6O2 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
PubChem CID162243839
Molecular FormulaC23H32Cl2N6O2
Molecular Weight495.46 g/mol
Exact Mass494.20
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
SMILESCN(C)CC(=O)Nc1ccc(N)cc1Cl.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O.C10H14ClN3O/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyZXBGOTALMWWJQT-UHFFFAOYSA-N
XLogP3.77
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531130
N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63004252
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide (CID 162243839) is N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide is CN(C)CC(=O)Nc1ccc(N)cc1Cl.Nc1ccc(NC(=O)CN2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is ZXBGOTALMWWJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O.C10H14ClN3O/c14-11-8-10(15)4-5-12(11)16-13(18)9-17-6-2-1-3-7-17;1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11/h4-5,8H,1-3,6-7,9,15H2,(H,16,18);3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide?
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 495.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 162243839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).