N-(5-bromo-2-methylphenyl)-4-chlorobutanamide

C11H13BrClNO — CID 63307861

IUPACN-(5-bromo-2-methylphenyl)-4-chlorobutanamide
SMILESCc1ccc(Br)cc1NC(=O)CCCCl
InChIInChI=1S/C11H13BrClNO/c1-8-4-5-9(12)7-10(8)14-11(15)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyITZAVBVMVYCEMD-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.72
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-4-chlorobutanamide

N-(5-bromo-2-methylphenyl)-4-chlorobutanamide (PubChem CID 63307861) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-chlorobutanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-chlorobutanamide
PubChem CID63307861
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-(5-bromo-2-methylphenyl)-4-chlorobutanamide
SMILESCc1ccc(Br)cc1NC(=O)CCCCl
InChIInChI=1S/C11H13BrClNO/c1-8-4-5-9(12)7-10(8)14-11(15)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyITZAVBVMVYCEMD-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
CID 63307779
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-chlorobutanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-chlorobutanamide (CID 63307861) is N-(5-bromo-2-methylphenyl)-4-chlorobutanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-chlorobutanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-chlorobutanamide is Cc1ccc(Br)cc1NC(=O)CCCCl.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-chlorobutanamide?
The InChIKey is ITZAVBVMVYCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8-4-5-9(12)7-10(8)14-11(15)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-chlorobutanamide?
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide has a molecular weight of 290.59 g/mol, XLogP of 3.72, 4 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)-4-chlorobutanamide is sourced from PubChem (CID 63307861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).