N-(4-bromo-3-methylphenyl)-N-butylbutanamide

C15H22BrNO — CID 71107081

IUPACN-(4-bromo-3-methylphenyl)-N-butylbutanamide
SMILESCCCCN(C(=O)CCC)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H22BrNO/c1-4-6-10-17(15(18)7-5-2)13-8-9-14(16)12(3)11-13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyJVLKHMBPNVBLFH-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.69
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-N-butylbutanamide

N-(4-bromo-3-methylphenyl)-N-butylbutanamide (PubChem CID 71107081) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-butylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-butylbutanamide
PubChem CID71107081
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(4-bromo-3-methylphenyl)-N-butylbutanamide
SMILESCCCCN(C(=O)CCC)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H22BrNO/c1-4-6-10-17(15(18)7-5-2)13-8-9-14(16)12(3)11-13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyJVLKHMBPNVBLFH-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[4-bromo-N-(2-hydroxyethyl)-3-methylanilino]-2-oxoethyl] acetate
CID 70935033
N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
1-(4-bromo-3-methylphenyl)pentan-1-one
CID 54759050
N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
CID 142224327
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
1-butyl-3-[4-[4-[[butyl(phenyl)carbamoyl]-ethylamino]-2-methylphenyl]-3-methylphenyl]-3-ethyl-1-phenylurea
CID 71079429
ethyl N-butyl-N-[3-[butyl(ethoxycarbonyl)amino]-4-methylphenyl]carbamate
CID 66871570
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
N-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)-2,2,2-trifluoroacetamide
CID 117004099
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-butylbutanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-butylbutanamide (CID 71107081) is N-(4-bromo-3-methylphenyl)-N-butylbutanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-butylbutanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-butylbutanamide is CCCCN(C(=O)CCC)c1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-butylbutanamide?
The InChIKey is JVLKHMBPNVBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-6-10-17(15(18)7-5-2)13-8-9-14(16)12(3)11-13/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-butylbutanamide?
N-(4-bromo-3-methylphenyl)-N-butylbutanamide has a molecular weight of 312.25 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-butylbutanamide is sourced from PubChem (CID 71107081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).