2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide

C18H25ClN2O2 — CID 24981511

IUPAC2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCC1CCCC(NC(=O)CCNC(=O)c2ccccc2Cl)C1C
InChIInChI=1S/C18H25ClN2O2/c1-12-6-5-9-16(13(12)2)21-17(22)10-11-20-18(23)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGVHRTYUTYGMACW-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide (PubChem CID 24981511) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide
PubChem CID24981511
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCC1CCCC(NC(=O)CCNC(=O)c2ccccc2Cl)C1C
InChIInChI=1S/C18H25ClN2O2/c1-12-6-5-9-16(13(12)2)21-17(22)10-11-20-18(23)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGVHRTYUTYGMACW-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide (CID 24981511) is 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide is CC1CCCC(NC(=O)CCNC(=O)c2ccccc2Cl)C1C.
What is the InChIKey of 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide?
The InChIKey is GVHRTYUTYGMACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-12-6-5-9-16(13(12)2)21-17(22)10-11-20-18(23)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide has a molecular weight of 336.86 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24981511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).