(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide

C13H18BrNO — CID 884269

IUPAC(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H18BrNO/c1-4-5-9(2)13(16)15-12-7-6-11(14)8-10(12)3/h6-9H,4-5H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyMBPXUSXYQIMEFA-SECBINFHSA-N
MW284.20 g/mol
LogP4.13
Rot. Bonds4

About (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide

(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide (PubChem CID 884269) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
PubChem CID884269
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H18BrNO/c1-4-5-9(2)13(16)15-12-7-6-11(14)8-10(12)3/h6-9H,4-5H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyMBPXUSXYQIMEFA-SECBINFHSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
N-(4-bromo-2-methylphenyl)-2-methylbutanediamide
CID 82124667
N-(4-bromo-2-carbamothioylphenyl)-2-methylpentanamide
CID 82704115
2-[(4-bromo-2-methylphenyl)carbamoyl]butanoic acid
CID 56986865
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
CID 78768995
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
1-(4-bromo-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473320

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
The IUPAC name of (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide (CID 884269) is (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide is CCC[C@@H](C)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
The InChIKey is MBPXUSXYQIMEFA-SECBINFHSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-5-9(2)13(16)15-12-7-6-11(14)8-10(12)3/h6-9H,4-5H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide has a molecular weight of 284.20 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 884269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).