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

C21H19ClN2O2 — CID 42533121

IUPAC(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)NCc1cccnc1
InChIInChI=1S/C21H19ClN2O2/c22-18-7-1-5-16(10-18)20(17-6-2-8-19(25)11-17)12-21(26)24-14-15-4-3-9-23-13-15/h1-11,13,20,25H,12,14H2,(H,24,26)/t20-/m1/s1
InChIKeyDGPWPJXHPSQPFQ-HXUWFJFHSA-N
MW366.85 g/mol
LogP4.28
Rot. Bonds6

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

(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42533121) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42533121
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)NCc1cccnc1
InChIInChI=1S/C21H19ClN2O2/c22-18-7-1-5-16(10-18)20(17-6-2-8-19(25)11-17)12-21(26)24-14-15-4-3-9-23-13-15/h1-11,13,20,25H,12,14H2,(H,24,26)/t20-/m1/s1
InChIKeyDGPWPJXHPSQPFQ-HXUWFJFHSA-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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Related Compounds

(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 26395678
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 42533121) is (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)NCc1cccnc1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is DGPWPJXHPSQPFQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-18-7-1-5-16(10-18)20(17-6-2-8-19(25)11-17)12-21(26)24-14-15-4-3-9-23-13-15/h1-11,13,20,25H,12,14H2,(H,24,26)/t20-/m1/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-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-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42533121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).