2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide

C17H24ClNO3 — CID 99795407

IUPAC2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide
SMILESC[C@@](O)(CNC(=O)Cc1ccc(O)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H24ClNO3/c1-17(22,13-5-3-2-4-6-13)11-19-16(21)9-12-7-8-14(20)10-15(12)18/h7-8,10,13,20,22H,2-6,9,11H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyKESSCEHICTVCRR-QGZVFWFLSA-N
MW325.84 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide

2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide (PubChem CID 99795407) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide
PubChem CID99795407
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide
SMILESC[C@@](O)(CNC(=O)Cc1ccc(O)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H24ClNO3/c1-17(22,13-5-3-2-4-6-13)11-19-16(21)9-12-7-8-14(20)10-15(12)18/h7-8,10,13,20,22H,2-6,9,11H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyKESSCEHICTVCRR-QGZVFWFLSA-N
XLogP3.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44315701
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CID 16221580
H-Tyr-Gly-Gly-Phe(2-Cl)-Leu-OH
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N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 24285935
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CID 11055656
(2R,3S)-2,3-bis(4-hydroxyphenyl)-N-pentylpentanamide
CID 12962935
(3R,4S)-3,4-bis(4-hydroxyphenyl)-N-pentylhexanamide
CID 12962937
2-(2-chloro-4-hydroxyphenyl)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 71917817
2-(3-chloro-4-hydroxy-phenyl)-N-isopentyl-acetamide
CID 122178855
(R)-N-((S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl)-3-phenylbutanamide
CID 165404886

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide (CID 99795407) is 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide is C[C@@](O)(CNC(=O)Cc1ccc(O)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide?
The InChIKey is KESSCEHICTVCRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-17(22,13-5-3-2-4-6-13)11-19-16(21)9-12-7-8-14(20)10-15(12)18/h7-8,10,13,20,22H,2-6,9,11H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide?
2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide has a molecular weight of 325.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide is sourced from PubChem (CID 99795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).