1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide

C16H16N2O — CID 99613024

IUPAC1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C16H16N2O/c17-13-8-6-12(7-9-13)16(10-11-16)15(19)18-14-4-2-1-3-5-14/h1-9H,10-11,17H2,(H,18,19)
InChIKeyONBGEOYXRDQVHF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide (PubChem CID 99613024) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
PubChem CID99613024
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C16H16N2O/c17-13-8-6-12(7-9-13)16(10-11-16)15(19)18-14-4-2-1-3-5-14/h1-9H,10-11,17H2,(H,18,19)
InChIKeyONBGEOYXRDQVHF-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.94
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-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-ethenylphenyl)-N-phenylcyclopropane-1-carboxamide
CID 154939079
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214
1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
CID 115913409
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911
1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 107585399
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide (CID 99613024) is 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide?
The InChIKey is ONBGEOYXRDQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-13-8-6-12(7-9-13)16(10-11-16)15(19)18-14-4-2-1-3-5-14/h1-9H,10-11,17H2,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.94, 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-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 99613024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).