(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide

C21H24ClNO3 — CID 25456349

IUPAC(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NC1CCC(O)CC1
InChIInChI=1S/C21H24ClNO3/c22-15-5-3-4-14(12-15)19(18-6-1-2-7-20(18)25)13-21(26)23-16-8-10-17(24)11-9-16/h1-7,12,16-17,19,24-25H,8-11,13H2,(H,23,26)/t16?,17?,19-/m0/s1
InChIKeyBLVVDGGKKJMUGQ-TVPLGVNVSA-N
MW373.88 g/mol
LogP3.99
Rot. Bonds5

About (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide

(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide (PubChem CID 25456349) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
PubChem CID25456349
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NC1CCC(O)CC1
InChIInChI=1S/C21H24ClNO3/c22-15-5-3-4-14(12-15)19(18-6-1-2-7-20(18)25)13-21(26)23-16-8-10-17(24)11-9-16/h1-7,12,16-17,19,24-25H,8-11,13H2,(H,23,26)/t16?,17?,19-/m0/s1
InChIKeyBLVVDGGKKJMUGQ-TVPLGVNVSA-N
XLogP3.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide (CID 25456349) is (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide is O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NC1CCC(O)CC1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is BLVVDGGKKJMUGQ-TVPLGVNVSA-N. The full InChI is InChI=1S/C21H24ClNO3/c22-15-5-3-4-14(12-15)19(18-6-1-2-7-20(18)25)13-21(26)23-16-8-10-17(24)11-9-16/h1-7,12,16-17,19,24-25H,8-11,13H2,(H,23,26)/t16?,17?,19-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide?
(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 25456349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).