N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide

C16H24BrNO — CID 18735896

IUPACN-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-5-6-10-18(15(19)12-16(2,3)4)14-9-7-8-13(17)11-14/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyXWUPOUNNNPQCFH-UHFFFAOYSA-N
MW326.28 g/mol
LogP5.02
Rot. Bonds5

About N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide

N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide (PubChem CID 18735896) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
PubChem CID18735896
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-5-6-10-18(15(19)12-16(2,3)4)14-9-7-8-13(17)11-14/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyXWUPOUNNNPQCFH-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.28
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
CID 18736125
N-butyl-N-[3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 18736126
N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-(3-bromophenyl)-N-propylacetamide
CID 67272874
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
CID 18736065
N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide
CID 19760221
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
3-(3-bromo-N-methylanilino)-3-methylbutanoic acid
CID 117042384
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide?
The IUPAC name of N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide (CID 18735896) is N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide is CCCCN(C(=O)CC(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide?
The InChIKey is XWUPOUNNNPQCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-5-6-10-18(15(19)12-16(2,3)4)14-9-7-8-13(17)11-14/h7-9,11H,5-6,10,12H2,1-4H3.
What are the key properties of N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide?
N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide has a molecular weight of 326.28 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide is sourced from PubChem (CID 18735896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).