(2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide

C18H20BrNO — CID 102441782

IUPAC(2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide
SMILESCc1cc(C)c(N(C)C(=O)[C@H](C)c2ccccc2)c(Br)c1
InChIInChI=1S/C18H20BrNO/c1-12-10-13(2)17(16(19)11-12)20(4)18(21)14(3)15-8-6-5-7-9-15/h5-11,14H,1-4H3/t14-/m1/s1
InChIKeyJAJQQTFWQSOBNO-CQSZACIVSA-N
MW346.27 g/mol
LogP4.83
Rot. Bonds3

About (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide

(2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide (PubChem CID 102441782) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide
PubChem CID102441782
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide
SMILESCc1cc(C)c(N(C)C(=O)[C@H](C)c2ccccc2)c(Br)c1
InChIInChI=1S/C18H20BrNO/c1-12-10-13(2)17(16(19)11-12)20(4)18(21)14(3)15-8-6-5-7-9-15/h5-11,14H,1-4H3/t14-/m1/s1
InChIKeyJAJQQTFWQSOBNO-CQSZACIVSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-1-(2-bromo-N,4,6-trimethylanilino)-2-phenylethenolate
CID 102441783
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
CID 161285414
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
CID 103236812
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
(2S)-N-methyl-N-phenacyl-2-phenylpropanamide
CID 78324200
N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
CID 50979991
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
2-amino-N-methyl-N-(3-methylphenyl)-2-phenylacetamide
CID 76931148

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide (CID 102441782) is (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide is Cc1cc(C)c(N(C)C(=O)[C@H](C)c2ccccc2)c(Br)c1.
What is the InChIKey of (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide?
The InChIKey is JAJQQTFWQSOBNO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-10-13(2)17(16(19)11-12)20(4)18(21)14(3)15-8-6-5-7-9-15/h5-11,14H,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide?
(2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide has a molecular weight of 346.27 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4,6-dimethylphenyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 102441782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).