2-benzyl-2-(4-bromoanilino)butanamide

C17H19BrN2O — CID 79008847

IUPAC2-benzyl-2-(4-bromoanilino)butanamide
SMILESCCC(Cc1ccccc1)(Nc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C17H19BrN2O/c1-2-17(16(19)21,12-13-6-4-3-5-7-13)20-15-10-8-14(18)9-11-15/h3-11,20H,2,12H2,1H3,(H2,19,21)
InChIKeyVYSWSSRKLVHXCW-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.74
Rot. Bonds6

About 2-benzyl-2-(4-bromoanilino)butanamide

2-benzyl-2-(4-bromoanilino)butanamide (PubChem CID 79008847) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-benzyl-2-(4-bromoanilino)butanamide.

Molecular Properties

Compound Name2-benzyl-2-(4-bromoanilino)butanamide
PubChem CID79008847
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-benzyl-2-(4-bromoanilino)butanamide
SMILESCCC(Cc1ccccc1)(Nc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C17H19BrN2O/c1-2-17(16(19)21,12-13-6-4-3-5-7-13)20-15-10-8-14(18)9-11-15/h3-11,20H,2,12H2,1H3,(H2,19,21)
InChIKeyVYSWSSRKLVHXCW-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(cyclopropylamino)butanamide
CID 79007963
2-anilino-2-ethyl-4-methylhexanamide
CID 54889196
2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
ethyl 2-(4-bromoanilino)-2-ethyl-4-methylhexanoate
CID 63526210
2-(4-bromoanilino)-2-(2-bromophenyl)propanamide
CID 60991854
2-[(4-bromophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 79803571
2-acetamido-2-benzyl-4,4,4-triiodobutanamide
CID 140966049
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-(4-methylanilino)-2-propylpentanamide
CID 54889215

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(4-bromoanilino)butanamide?
The IUPAC name of 2-benzyl-2-(4-bromoanilino)butanamide (CID 79008847) is 2-benzyl-2-(4-bromoanilino)butanamide.
What is the SMILES notation for 2-benzyl-2-(4-bromoanilino)butanamide?
The canonical SMILES for 2-benzyl-2-(4-bromoanilino)butanamide is CCC(Cc1ccccc1)(Nc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-benzyl-2-(4-bromoanilino)butanamide?
The InChIKey is VYSWSSRKLVHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-17(16(19)21,12-13-6-4-3-5-7-13)20-15-10-8-14(18)9-11-15/h3-11,20H,2,12H2,1H3,(H2,19,21).
What are the key properties of 2-benzyl-2-(4-bromoanilino)butanamide?
2-benzyl-2-(4-bromoanilino)butanamide has a molecular weight of 347.26 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(4-bromoanilino)butanamide is sourced from PubChem (CID 79008847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).