(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide

C18H20ClNO — CID 59895134

IUPAC(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide
SMILESCc1cc(NC(=O)[C@H](C)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO/c1-13(8-9-15-6-4-3-5-7-15)18(21)20-16-10-11-17(19)14(2)12-16/h3-7,10-13H,8-9H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyQWVFERUZUAXGTJ-CYBMUJFWSA-N
MW301.82 g/mol
LogP4.86
Rot. Bonds5

About (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide

(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide (PubChem CID 59895134) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide
PubChem CID59895134
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide
SMILESCc1cc(NC(=O)[C@H](C)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO/c1-13(8-9-15-6-4-3-5-7-15)18(21)20-16-10-11-17(19)14(2)12-16/h3-7,10-13H,8-9H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyQWVFERUZUAXGTJ-CYBMUJFWSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(4-chloro-3-methylanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 21341436
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-N-(3,4-dichlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537513
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide?
The IUPAC name of (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide (CID 59895134) is (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide.
What is the SMILES notation for (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide?
The canonical SMILES for (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide is Cc1cc(NC(=O)[C@H](C)CCc2ccccc2)ccc1Cl.
What is the InChIKey of (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide?
The InChIKey is QWVFERUZUAXGTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13(8-9-15-6-4-3-5-7-15)18(21)20-16-10-11-17(19)14(2)12-16/h3-7,10-13H,8-9H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide?
(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide has a molecular weight of 301.82 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide is sourced from PubChem (CID 59895134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).