N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide

C16H17ClN2O2 — CID 62503557

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-21-15-6-5-12(8-14(15)18)10-19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyLYDFXPFUKZDGFS-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.79
Rot. Bonds5

About N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide (PubChem CID 62503557) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
PubChem CID62503557
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-21-15-6-5-12(8-14(15)18)10-19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyLYDFXPFUKZDGFS-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 9209889
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide (CID 62503557) is N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide is COc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is LYDFXPFUKZDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-6-5-12(8-14(15)18)10-19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 304.78 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62503557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).