4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide

C17H16N2O2 — CID 1401411

IUPAC4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide
SMILESNC(=O)c1ccc(C2(c3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C17H16N2O2/c18-15(20)11-1-5-13(6-2-11)17(9-10-17)14-7-3-12(4-8-14)16(19)21/h1-8H,9-10H2,(H2,18,20)(H2,19,21)
InChIKeyVEFIHBGIXIKQAP-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.96
Rot. Bonds4

About 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide

4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide (PubChem CID 1401411) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide
PubChem CID1401411
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide
SMILESNC(=O)c1ccc(C2(c3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C17H16N2O2/c18-15(20)11-1-5-13(6-2-11)17(9-10-17)14-7-3-12(4-8-14)16(19)21/h1-8H,9-10H2,(H2,18,20)(H2,19,21)
InChIKeyVEFIHBGIXIKQAP-UHFFFAOYSA-N
XLogP1.96
TPSA86.18 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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylcyclopropyl)benzoic acid
CID 19600113
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
benzamide;1,1-dichlorocyclopropane
CID 175468007
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzamide;ethane
CID 91014030
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
4-aminobenzamide;methanol
CID 144801245
4-aminosulfanylbenzamide
CID 22301586
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide?
The IUPAC name of 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide (CID 1401411) is 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide is NC(=O)c1ccc(C2(c3ccc(C(N)=O)cc3)CC2)cc1.
What is the InChIKey of 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide?
The InChIKey is VEFIHBGIXIKQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-15(20)11-1-5-13(6-2-11)17(9-10-17)14-7-3-12(4-8-14)16(19)21/h1-8H,9-10H2,(H2,18,20)(H2,19,21).
What are the key properties of 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide?
4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-carbamoylphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 1401411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).