N-(2-bromo-5-chlorophenyl)-2-methylpentanamide

C12H15BrClNO — CID 81272725

IUPACN-(2-bromo-5-chlorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H15BrClNO/c1-3-4-8(2)12(16)15-11-7-9(14)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyMCXWWBGSRZYUFS-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.48
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-2-methylpentanamide

N-(2-bromo-5-chlorophenyl)-2-methylpentanamide (PubChem CID 81272725) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-methylpentanamide
PubChem CID81272725
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H15BrClNO/c1-3-4-8(2)12(16)15-11-7-9(14)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyMCXWWBGSRZYUFS-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
2-bromo-5-chloro-N-heptan-4-ylaniline
CID 81264426

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylpentanamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylpentanamide (CID 81272725) is N-(2-bromo-5-chlorophenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-methylpentanamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-methylpentanamide?
The InChIKey is MCXWWBGSRZYUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-3-4-8(2)12(16)15-11-7-9(14)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-methylpentanamide?
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide has a molecular weight of 304.62 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-methylpentanamide is sourced from PubChem (CID 81272725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).