3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide

C21H24ClNO2 — CID 2952080

IUPAC3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NC1CCCCC1
InChIInChI=1S/C21H24ClNO2/c22-16-11-12-20(24)19(13-16)18(15-7-3-1-4-8-15)14-21(25)23-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17-18,24H,2,5-6,9-10,14H2,(H,23,25)
InChIKeyAUJFZIFWXOSLGQ-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.02
Rot. Bonds5

About 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide

3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide (PubChem CID 2952080) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
PubChem CID2952080
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NC1CCCCC1
InChIInChI=1S/C21H24ClNO2/c22-16-11-12-20(24)19(13-16)18(15-7-3-1-4-8-15)14-21(25)23-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17-18,24H,2,5-6,9-10,14H2,(H,23,25)
InChIKeyAUJFZIFWXOSLGQ-UHFFFAOYSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
CID 45243515
3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
CID 4614539
3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 45135151
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
CID 7160797
2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
(3R)-3-(1-benzyl-5-nitroindol-3-yl)-N-cyclohexyl-3-phenylpropanamide
CID 93120122
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide
CID 139938077

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide (CID 2952080) is 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide is O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NC1CCCCC1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide?
The InChIKey is AUJFZIFWXOSLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-16-11-12-20(24)19(13-16)18(15-7-3-1-4-8-15)14-21(25)23-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17-18,24H,2,5-6,9-10,14H2,(H,23,25).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide?
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide has a molecular weight of 357.88 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide is sourced from PubChem (CID 2952080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).