N-(5-bromo-2-methylphenyl)butanamide

C11H14BrNO — CID 43806329

IUPACN-(5-bromo-2-methylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO/c1-3-4-11(14)13-10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyQCWQEXHQHFYWJU-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.50
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)butanamide

N-(5-bromo-2-methylphenyl)butanamide (PubChem CID 43806329) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)butanamide
PubChem CID43806329
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(5-bromo-2-methylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO/c1-3-4-11(14)13-10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyQCWQEXHQHFYWJU-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
5-bromo-2-(butanoylamino)benzamide
CID 12989236
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
2-[2-(5-bromo-2-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569112
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)butanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)butanamide (CID 43806329) is N-(5-bromo-2-methylphenyl)butanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)butanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)butanamide is CCCC(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)butanamide?
The InChIKey is QCWQEXHQHFYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-4-11(14)13-10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(5-bromo-2-methylphenyl)butanamide?
N-(5-bromo-2-methylphenyl)butanamide has a molecular weight of 256.14 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)butanamide is sourced from PubChem (CID 43806329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).