1-(2-phenylanilino)cyclopropane-1-carboxamide

C16H16N2O — CID 91156630

IUPAC1-(2-phenylanilino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C16H16N2O/c17-15(19)16(10-11-16)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H2,17,19)
InChIKeyIRRQUHNWERRJHH-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-phenylanilino)cyclopropane-1-carboxamide

1-(2-phenylanilino)cyclopropane-1-carboxamide (PubChem CID 91156630) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-phenylanilino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-phenylanilino)cyclopropane-1-carboxamide
PubChem CID91156630
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(2-phenylanilino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C16H16N2O/c17-15(19)16(10-11-16)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H2,17,19)
InChIKeyIRRQUHNWERRJHH-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylanilino)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-phenylanilino)cyclopropane-1-carboxamide (CID 91156630) is 1-(2-phenylanilino)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-phenylanilino)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-phenylanilino)cyclopropane-1-carboxamide is NC(=O)C1(Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylanilino)cyclopropane-1-carboxamide?
The InChIKey is IRRQUHNWERRJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-15(19)16(10-11-16)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H2,17,19).
What are the key properties of 1-(2-phenylanilino)cyclopropane-1-carboxamide?
1-(2-phenylanilino)cyclopropane-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylanilino)cyclopropane-1-carboxamide is sourced from PubChem (CID 91156630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).