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

C15H15ClN2O — CID 62503389

IUPACN-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESNc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O/c16-13-3-1-2-12(8-13)9-15(19)18-10-11-4-6-14(17)7-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyWYEBMQCHMLCIFF-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.78
Rot. Bonds4

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

N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide (PubChem CID 62503389) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
PubChem CID62503389
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESNc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O/c16-13-3-1-2-12(8-13)9-15(19)18-10-11-4-6-14(17)7-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyWYEBMQCHMLCIFF-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide (CID 62503389) is N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide is Nc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is WYEBMQCHMLCIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-3-1-2-12(8-13)9-15(19)18-10-11-4-6-14(17)7-5-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide?
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 274.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62503389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).