(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide

C18H20ClNO2 — CID 8714154

IUPAC(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C18H20ClNO2/c1-12(2)17(13-8-10-14(19)11-9-13)18(21)20-15-6-4-5-7-16(15)22-3/h4-12,17H,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeySTOKBTRBIBUOFL-QGZVFWFLSA-N
MW317.82 g/mol
LogP4.73
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide

(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide (PubChem CID 8714154) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
PubChem CID8714154
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C18H20ClNO2/c1-12(2)17(13-8-10-14(19)11-9-13)18(21)20-15-6-4-5-7-16(15)22-3/h4-12,17H,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeySTOKBTRBIBUOFL-QGZVFWFLSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(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-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 2457506
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
CID 43047742
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8866266
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide (CID 8714154) is (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide is COc1ccccc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is STOKBTRBIBUOFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)17(13-8-10-14(19)11-9-13)18(21)20-15-6-4-5-7-16(15)22-3/h4-12,17H,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 317.82 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 8714154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).