2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide

C18H25ClN2O2 — CID 11920005

IUPAC2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CCNC(=O)c1ccccc1Cl
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)/t12-,13+,16+/m0/s1
InChIKeyGVHRTYUTYGMACW-WOSRLPQWSA-N
MW336.86 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide (PubChem CID 11920005) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
PubChem CID11920005
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CCNC(=O)c1ccccc1Cl
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)/t12-,13+,16+/m0/s1
InChIKeyGVHRTYUTYGMACW-WOSRLPQWSA-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

Analyze 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
4-chloro-N-[3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 11920009
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624406
5-bromo-N-[3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 98612302
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
CID 51165973
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide (CID 11920005) is 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide?
The InChIKey is GVHRTYUTYGMACW-WOSRLPQWSA-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)/t12-,13+,16+/m0/s1.
What are the key properties of 2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[(1R,2R,3S)-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-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 11920005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).