3-cyano-N-cyclopentyl-N-cyclopropylbenzamide

C16H18N2O — CID 110872922

IUPAC3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
SMILESN#Cc1cccc(C(=O)N(C2CCCC2)C2CC2)c1
InChIInChI=1S/C16H18N2O/c17-11-12-4-3-5-13(10-12)16(19)18(15-8-9-15)14-6-1-2-7-14/h3-5,10,14-15H,1-2,6-9H2
InChIKeyOCVPCOJKYWYYAP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.11
Rot. Bonds3

About 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide

3-cyano-N-cyclopentyl-N-cyclopropylbenzamide (PubChem CID 110872922) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
PubChem CID110872922
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
SMILESN#Cc1cccc(C(=O)N(C2CCCC2)C2CC2)c1
InChIInChI=1S/C16H18N2O/c17-11-12-4-3-5-13(10-12)16(19)18(15-8-9-15)14-6-1-2-7-14/h3-5,10,14-15H,1-2,6-9H2
InChIKeyOCVPCOJKYWYYAP-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide?
The IUPAC name of 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide (CID 110872922) is 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide.
What is the SMILES notation for 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide?
The canonical SMILES for 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide is N#Cc1cccc(C(=O)N(C2CCCC2)C2CC2)c1.
What is the InChIKey of 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide?
The InChIKey is OCVPCOJKYWYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-12-4-3-5-13(10-12)16(19)18(15-8-9-15)14-6-1-2-7-14/h3-5,10,14-15H,1-2,6-9H2.
What are the key properties of 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide?
3-cyano-N-cyclopentyl-N-cyclopropylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopentyl-N-cyclopropylbenzamide is sourced from PubChem (CID 110872922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).