(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide

C18H19Cl2NO2 — CID 7900734

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)17(12-4-6-13(19)7-5-12)18(22)21-15-10-14(20)8-9-16(15)23-3/h4-11,17H,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyWPYQASAQMIAVSC-KRWDZBQOSA-N
MW352.26 g/mol
LogP5.38
Rot. Bonds5

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide (PubChem CID 7900734) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
PubChem CID7900734
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)17(12-4-6-13(19)7-5-12)18(22)21-15-10-14(20)8-9-16(15)23-3/h4-11,17H,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyWPYQASAQMIAVSC-KRWDZBQOSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
CID 43047742
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide (CID 7900734) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide is COc1ccc(Cl)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The InChIKey is WPYQASAQMIAVSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-11(2)17(12-4-6-13(19)7-5-12)18(22)21-15-10-14(20)8-9-16(15)23-3/h4-11,17H,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide has a molecular weight of 352.26 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 7900734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).