2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride

C18H20Cl2N2O — CID 119772654

IUPAC2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClN2O.ClH/c19-15-5-3-14(4-6-15)18(9-10-18)12-21-17(22)11-13-1-7-16(20)8-2-13;/h1-8H,9-12,20H2,(H,21,22);1H
InChIKeyUDTQYGUBSARLRA-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride (PubChem CID 119772654) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
PubChem CID119772654
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClN2O.ClH/c19-15-5-3-14(4-6-15)18(9-10-18)12-21-17(22)11-13-1-7-16(20)8-2-13;/h1-8H,9-12,20H2,(H,21,22);1H
InChIKeyUDTQYGUBSARLRA-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
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'}

Analyze 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
CID 122154894
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride (CID 119772654) is 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
The InChIKey is UDTQYGUBSARLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O.ClH/c19-15-5-3-14(4-6-15)18(9-10-18)12-21-17(22)11-13-1-7-16(20)8-2-13;/h1-8H,9-12,20H2,(H,21,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride has a molecular weight of 351.28 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-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119772654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).