N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide

C13H18BrNO — CID 60630959

IUPACN-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-10(2)8-13(16)15(3)9-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyLIPKMXIRRDSVDY-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide

N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 60630959) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID60630959
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-10(2)8-13(16)15(3)9-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyLIPKMXIRRDSVDY-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanylbutanoic acid
CID 66136027
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111488423
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
2-[[(2-bromophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638488
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide (CID 60630959) is N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is LIPKMXIRRDSVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(2)8-13(16)15(3)9-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide?
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 284.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 60630959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).