(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C19H22ClNO2 — CID 837870

IUPAC(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C19H22ClNO2/c1-12(2)10-14-4-6-15(7-5-14)13(3)19(23)21-17-11-16(20)8-9-18(17)22/h4-9,11-13,22H,10H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyJHTULMNKLFLNTH-ZDUSSCGKSA-N
MW331.84 g/mol
LogP4.99
Rot. Bonds5

About (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 837870) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID837870
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C19H22ClNO2/c1-12(2)10-14-4-6-15(7-5-14)13(3)19(23)21-17-11-16(20)8-9-18(17)22/h4-9,11-13,22H,10H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyJHTULMNKLFLNTH-ZDUSSCGKSA-N
XLogP4.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 837870) is (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is JHTULMNKLFLNTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-12(2)10-14-4-6-15(7-5-14)13(3)19(23)21-17-11-16(20)8-9-18(17)22/h4-9,11-13,22H,10H2,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 837870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).