N-(4-bromophenyl)-4-methylpentanamide

C12H16BrNO — CID 28780538

IUPACN-(4-bromophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-9(2)3-8-12(15)14-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyGMPMZYSCXRTLES-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.82
Rot. Bonds4

About N-(4-bromophenyl)-4-methylpentanamide

N-(4-bromophenyl)-4-methylpentanamide (PubChem CID 28780538) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methylpentanamide
PubChem CID28780538
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(4-bromophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-9(2)3-8-12(15)14-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyGMPMZYSCXRTLES-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
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5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
(Z)-3-(4-bromoanilino)-6-methylhept-2-enoic acid
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4-bromo-N-(6-methylhept-2-en-3-yl)aniline
CID 151695650
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
CID 119106516
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methylpentanamide?
The IUPAC name of N-(4-bromophenyl)-4-methylpentanamide (CID 28780538) is N-(4-bromophenyl)-4-methylpentanamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methylpentanamide?
The canonical SMILES for N-(4-bromophenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-methylpentanamide?
The InChIKey is GMPMZYSCXRTLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(2)3-8-12(15)14-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromophenyl)-4-methylpentanamide?
N-(4-bromophenyl)-4-methylpentanamide has a molecular weight of 270.17 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methylpentanamide is sourced from PubChem (CID 28780538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).