4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide

C20H22N4O2 — CID 18417053

IUPAC4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2CCCCC2C(=O)NC(C#N)C2CC2)cc1
InChIInChI=1S/C20H22N4O2/c21-11-13-5-7-15(8-6-13)19(25)23-17-4-2-1-3-16(17)20(26)24-18(12-22)14-9-10-14/h5-8,14,16-18H,1-4,9-10H2,(H,23,25)(H,24,26)
InChIKeyFFCSOJWIRMFYOE-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.27
Rot. Bonds5

About 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide

4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide (PubChem CID 18417053) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide
PubChem CID18417053
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2CCCCC2C(=O)NC(C#N)C2CC2)cc1
InChIInChI=1S/C20H22N4O2/c21-11-13-5-7-15(8-6-13)19(25)23-17-4-2-1-3-16(17)20(26)24-18(12-22)14-9-10-14/h5-8,14,16-18H,1-4,9-10H2,(H,23,25)(H,24,26)
InChIKeyFFCSOJWIRMFYOE-UHFFFAOYSA-N
XLogP2.27
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide (CID 18417053) is 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide is N#Cc1ccc(C(=O)NC2CCCCC2C(=O)NC(C#N)C2CC2)cc1.
What is the InChIKey of 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide?
The InChIKey is FFCSOJWIRMFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-11-13-5-7-15(8-6-13)19(25)23-17-4-2-1-3-16(17)20(26)24-18(12-22)14-9-10-14/h5-8,14,16-18H,1-4,9-10H2,(H,23,25)(H,24,26).
What are the key properties of 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide?
4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]benzamide is sourced from PubChem (CID 18417053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).