(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide

C21H19ClN2O2 — CID 42531133

IUPAC(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1
InChIInChI=1S/C21H19ClN2O2/c22-17-5-3-4-16(12-17)19(18-6-1-2-7-20(18)25)13-21(26)24-14-15-8-10-23-11-9-15/h1-12,19,25H,13-14H2,(H,24,26)/t19-/m0/s1
InChIKeyFCLJKQUGPBHULK-IBGZPJMESA-N
MW366.85 g/mol
LogP4.28
Rot. Bonds6

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

(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 42531133) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID42531133
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1
InChIInChI=1S/C21H19ClN2O2/c22-17-5-3-4-16(12-17)19(18-6-1-2-7-20(18)25)13-21(26)24-14-15-8-10-23-11-9-15/h1-12,19,25H,13-14H2,(H,24,26)/t19-/m0/s1
InChIKeyFCLJKQUGPBHULK-IBGZPJMESA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 42531133) is (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide is O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FCLJKQUGPBHULK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-5-3-4-16(12-17)19(18-6-1-2-7-20(18)25)13-21(26)24-14-15-8-10-23-11-9-15/h1-12,19,25H,13-14H2,(H,24,26)/t19-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 366.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 42531133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).