(2R)-N-benzyl-2-bromo-N-phenylbutanamide

C17H18BrNO — CID 93477428

IUPAC(2R)-N-benzyl-2-bromo-N-phenylbutanamide
SMILESCC[C@@H](Br)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-16(18)17(20)19(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16-/m1/s1
InChIKeyDVAAHBQCAZCHOP-MRXNPFEDSA-N
MW332.24 g/mol
LogP4.39
Rot. Bonds5

About (2R)-N-benzyl-2-bromo-N-phenylbutanamide

(2R)-N-benzyl-2-bromo-N-phenylbutanamide (PubChem CID 93477428) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (2R)-N-benzyl-2-bromo-N-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-bromo-N-phenylbutanamide
PubChem CID93477428
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(2R)-N-benzyl-2-bromo-N-phenylbutanamide
SMILESCC[C@@H](Br)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-2-16(18)17(20)19(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16-/m1/s1
InChIKeyDVAAHBQCAZCHOP-MRXNPFEDSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium
CID 91434931
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
(2R)-N-benzyl-7-cyano-2-ethyl-N-phenylheptanamide
CID 135712842
2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride
CID 75429738
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-bromo-N-phenylbutanamide?
The IUPAC name of (2R)-N-benzyl-2-bromo-N-phenylbutanamide (CID 93477428) is (2R)-N-benzyl-2-bromo-N-phenylbutanamide.
What is the SMILES notation for (2R)-N-benzyl-2-bromo-N-phenylbutanamide?
The canonical SMILES for (2R)-N-benzyl-2-bromo-N-phenylbutanamide is CC[C@@H](Br)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-bromo-N-phenylbutanamide?
The InChIKey is DVAAHBQCAZCHOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-16(18)17(20)19(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-bromo-N-phenylbutanamide?
(2R)-N-benzyl-2-bromo-N-phenylbutanamide has a molecular weight of 332.24 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-bromo-N-phenylbutanamide is sourced from PubChem (CID 93477428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).