3-[(1-phenylcyclopropanecarbonyl)amino]benzamide

C17H16N2O2 — CID 51152911

IUPAC3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C17H16N2O2/c18-15(20)12-5-4-8-14(11-12)19-16(21)17(9-10-17)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H2,18,20)(H,19,21)
InChIKeyCVTABZOFTIWBOW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds4

About 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide

3-[(1-phenylcyclopropanecarbonyl)amino]benzamide (PubChem CID 51152911) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
PubChem CID51152911
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C17H16N2O2/c18-15(20)12-5-4-8-14(11-12)19-16(21)17(9-10-17)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H2,18,20)(H,19,21)
InChIKeyCVTABZOFTIWBOW-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614
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N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
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1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
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3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
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2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 115661448
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
CID 63650023
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
CID 95619879

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide (CID 51152911) is 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide is NC(=O)c1cccc(NC(=O)C2(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is CVTABZOFTIWBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-15(20)12-5-4-8-14(11-12)19-16(21)17(9-10-17)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H2,18,20)(H,19,21).
What are the key properties of 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide?
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 51152911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).