3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide

C13H16ClNO2 — CID 95983840

IUPAC3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H](O)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO2/c14-10-4-1-3-9(7-10)13(17)15-11-5-2-6-12(16)8-11/h1,3-4,7,11-12,16H,2,5-6,8H2,(H,15,17)/t11-,12+/m0/s1
InChIKeyDPWFBZKKSJGWDL-NWDGAFQWSA-N
MW253.73 g/mol
LogP2.37
Rot. Bonds2

About 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide

3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide (PubChem CID 95983840) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
PubChem CID95983840
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H](O)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO2/c14-10-4-1-3-9(7-10)13(17)15-11-5-2-6-12(16)8-11/h1,3-4,7,11-12,16H,2,5-6,8H2,(H,15,17)/t11-,12+/m0/s1
InChIKeyDPWFBZKKSJGWDL-NWDGAFQWSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)amino]cyclohexane-1-carboxylate
CID 156759054
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide
CID 98815691
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide (CID 95983840) is 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide is O=C(N[C@H]1CCC[C@@H](O)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide?
The InChIKey is DPWFBZKKSJGWDL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-4-1-3-9(7-10)13(17)15-11-5-2-6-12(16)8-11/h1,3-4,7,11-12,16H,2,5-6,8H2,(H,15,17)/t11-,12+/m0/s1.
What are the key properties of 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide?
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 95983840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).