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

C17H23ClN2O2 — CID 7976266

IUPAC2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-12-6-2-5-9-15(12)20-16(21)10-11-19-17(22)13-7-3-4-8-14(13)18/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H,19,22)(H,20,21)/t12-,15-/m0/s1
InChIKeyQUCKVVHRXSAMMN-WFASDCNBSA-N
MW322.84 g/mol
LogP3.15
Rot. Bonds5

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

2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide (PubChem CID 7976266) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
PubChem CID7976266
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-12-6-2-5-9-15(12)20-16(21)10-11-19-17(22)13-7-3-4-8-14(13)18/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H,19,22)(H,20,21)/t12-,15-/m0/s1
InChIKeyQUCKVVHRXSAMMN-WFASDCNBSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
2-chloro-N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 11920005
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
1-[(2-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8657236
2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide
CID 95313685
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 9491259
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide (CID 7976266) is 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide is C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
The InChIKey is QUCKVVHRXSAMMN-WFASDCNBSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-6-2-5-9-15(12)20-16(21)10-11-19-17(22)13-7-3-4-8-14(13)18/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H,19,22)(H,20,21)/t12-,15-/m0/s1.
What are the key properties of 2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide has a molecular weight of 322.84 g/mol, XLogP of 3.15, 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-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 7976266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).