1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide

C17H17ClN2O — CID 115913116

IUPAC1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H17ClN2O/c1-11-14(18)3-2-4-15(11)20-16(21)17(9-10-17)12-5-7-13(19)8-6-12/h2-8H,9-10,19H2,1H3,(H,20,21)
InChIKeyCJURXASLKUHYBP-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.90
Rot. Bonds3

About 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 115913116) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID115913116
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H17ClN2O/c1-11-14(18)3-2-4-15(11)20-16(21)17(9-10-17)12-5-7-13(19)8-6-12/h2-8H,9-10,19H2,1H3,(H,20,21)
InChIKeyCJURXASLKUHYBP-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 52555511
1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
CID 115913409
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
N-(3-chloro-2-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590922
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
CID 115913894
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide (CID 115913116) is 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide is Cc1c(Cl)cccc1NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CJURXASLKUHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-14(18)3-2-4-15(11)20-16(21)17(9-10-17)12-5-7-13(19)8-6-12/h2-8H,9-10,19H2,1H3,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).