3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide

C18H15N3O2 — CID 16567527

IUPAC3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C18H15N3O2/c19-11-12-4-6-13(7-5-12)17(22)21-16-3-1-2-14(10-16)18(23)20-15-8-9-15/h1-7,10,15H,8-9H2,(H,20,23)(H,21,22)
InChIKeyGIFCEKJYPCVGPU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.70
Rot. Bonds4

About 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide

3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide (PubChem CID 16567527) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
PubChem CID16567527
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C18H15N3O2/c19-11-12-4-6-13(7-5-12)17(22)21-16-3-1-2-14(10-16)18(23)20-15-8-9-15/h1-7,10,15H,8-9H2,(H,20,23)(H,21,22)
InChIKeyGIFCEKJYPCVGPU-UHFFFAOYSA-N
XLogP2.70
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide (CID 16567527) is 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide is N#Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide?
The InChIKey is GIFCEKJYPCVGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-11-12-4-6-13(7-5-12)17(22)21-16-3-1-2-14(10-16)18(23)20-15-8-9-15/h1-7,10,15H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide?
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide has a molecular weight of 305.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 16567527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).