(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide

C19H22ClNO2 — CID 100696177

IUPAC(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-17(14-7-4-3-5-8-14)19(23)21-12-11-18(22)15-9-6-10-16(20)13-15/h3-10,13,17-18,22H,2,11-12H2,1H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyZAKHOAQFWKPTTC-QZTJIDSGSA-N
MW331.84 g/mol
LogP4.07
Rot. Bonds7

About (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide

(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide (PubChem CID 100696177) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
PubChem CID100696177
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-17(14-7-4-3-5-8-14)19(23)21-12-11-18(22)15-9-6-10-16(20)13-15/h3-10,13,17-18,22H,2,11-12H2,1H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyZAKHOAQFWKPTTC-QZTJIDSGSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
[1-[[3-(3-chlorophenyl)-3-hydroxypropyl]amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91624388
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719
N-(5-bromo-4-methylpentyl)-2-phenylbutanamide
CID 106157795
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 100697984
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide (CID 100696177) is (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide?
The InChIKey is ZAKHOAQFWKPTTC-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-17(14-7-4-3-5-8-14)19(23)21-12-11-18(22)15-9-6-10-16(20)13-15/h3-10,13,17-18,22H,2,11-12H2,1H3,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide?
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide has a molecular weight of 331.84 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide is sourced from PubChem (CID 100696177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).