2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide

C18H19ClN2O — CID 119689371

IUPAC2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
SMILESNc1ccc(CC(=O)NC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-7-5-14(6-8-15)18(13-3-4-13)21-17(22)11-12-1-9-16(20)10-2-12/h1-2,5-10,13,18H,3-4,11,20H2,(H,21,22)
InChIKeyHTDJBQOUYRXQNE-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.73
Rot. Bonds5

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

2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide (PubChem CID 119689371) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
PubChem CID119689371
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
SMILESNc1ccc(CC(=O)NC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-7-5-14(6-8-15)18(13-3-4-13)21-17(22)11-12-1-9-16(20)10-2-12/h1-2,5-10,13,18H,3-4,11,20H2,(H,21,22)
InChIKeyHTDJBQOUYRXQNE-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.73
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

2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 78806157
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
CID 119799878
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide (CID 119689371) is 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide is Nc1ccc(CC(=O)NC(c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
The InChIKey is HTDJBQOUYRXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-7-5-14(6-8-15)18(13-3-4-13)21-17(22)11-12-1-9-16(20)10-2-12/h1-2,5-10,13,18H,3-4,11,20H2,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide?
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide has a molecular weight of 314.82 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide is sourced from PubChem (CID 119689371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).