5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide

C14H18ClNO3 — CID 94413829

IUPAC5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18ClNO3/c1-19-13-7-6-9(15)8-10(13)14(18)16-11-4-2-3-5-12(11)17/h6-8,11-12,17H,2-5H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyJWUIFYXIUOFGQH-VXGBXAGGSA-N
MW283.75 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide (PubChem CID 94413829) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
PubChem CID94413829
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18ClNO3/c1-19-13-7-6-9(15)8-10(13)14(18)16-11-4-2-3-5-12(11)17/h6-8,11-12,17H,2-5H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyJWUIFYXIUOFGQH-VXGBXAGGSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
5-chloro-N-[(1R,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-2-methoxybenzamide
CID 87983811
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8728831
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728826
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide (CID 94413829) is 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide?
The InChIKey is JWUIFYXIUOFGQH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-13-7-6-9(15)8-10(13)14(18)16-11-4-2-3-5-12(11)17/h6-8,11-12,17H,2-5H2,1H3,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide?
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide is sourced from PubChem (CID 94413829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).