1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide

C16H15ClN2O — CID 99706799

IUPAC1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C16H15ClN2O/c17-12-3-7-14(8-4-12)19-15(20)16(9-10-16)11-1-5-13(18)6-2-11/h1-8H,9-10,18H2,(H,19,20)
InChIKeyLMZNYTIQVDMRBL-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.59
Rot. Bonds3

About 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 99706799) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID99706799
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C16H15ClN2O/c17-12-3-7-14(8-4-12)19-15(20)16(9-10-16)11-1-5-13(18)6-2-11/h1-8H,9-10,18H2,(H,19,20)
InChIKeyLMZNYTIQVDMRBL-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.59
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

1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-aminophenyl)-N-(2-bromo-5-chlorophenyl)cyclopropane-1-carboxamide
CID 115913859
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
CID 155818871
1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781332
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 99706799) is 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)Nc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is LMZNYTIQVDMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-12-3-7-14(8-4-12)19-15(20)16(9-10-16)11-1-5-13(18)6-2-11/h1-8H,9-10,18H2,(H,19,20).
What are the key properties of 1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.59, 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-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99706799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).