2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide

C15H20ClNO4 — CID 110125549

IUPAC2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2Cl)[C@H]1O
InChIInChI=1S/C15H20ClNO4/c1-20-13-8-4-6-11(15(13)19)17-14(18)9-21-12-7-3-2-5-10(12)16/h2-3,5,7,11,13,15,19H,4,6,8-9H2,1H3,(H,17,18)/t11-,13-,15-/m1/s1
InChIKeyBKMDXVMEURGDSS-UXIGCNINSA-N
MW313.78 g/mol
LogP1.76
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide

2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide (PubChem CID 110125549) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
PubChem CID110125549
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2Cl)[C@H]1O
InChIInChI=1S/C15H20ClNO4/c1-20-13-8-4-6-11(15(13)19)17-14(18)9-21-12-7-3-2-5-10(12)16/h2-3,5,7,11,13,15,19H,4,6,8-9H2,1H3,(H,17,18)/t11-,13-,15-/m1/s1
InChIKeyBKMDXVMEURGDSS-UXIGCNINSA-N
XLogP1.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
CID 110125138
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110164950
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
2-(2-chlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575020
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2434553
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435738
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435735
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110125150
1-[[2-(2-chlorophenoxy)acetyl]amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946461

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide (CID 110125549) is 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide is CO[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2Cl)[C@H]1O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The InChIKey is BKMDXVMEURGDSS-UXIGCNINSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-20-13-8-4-6-11(15(13)19)17-14(18)9-21-12-7-3-2-5-10(12)16/h2-3,5,7,11,13,15,19H,4,6,8-9H2,1H3,(H,17,18)/t11-,13-,15-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide has a molecular weight of 313.78 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide is sourced from PubChem (CID 110125549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).