N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide

C16H14BrF2NO — CID 82797938

IUPACN-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2cccc(Br)c2)c1F
InChIInChI=1S/C16H14BrF2NO/c1-10-6-7-13(18)14(15(10)19)16(21)20(2)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3
InChIKeyVOROZWUUNAIJFP-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.31
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide

N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide (PubChem CID 82797938) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
PubChem CID82797938
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2cccc(Br)c2)c1F
InChIInChI=1S/C16H14BrF2NO/c1-10-6-7-13(18)14(15(10)19)16(21)20(2)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3
InChIKeyVOROZWUUNAIJFP-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide 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-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide (CID 82797938) is N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)Cc2cccc(Br)c2)c1F.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide?
The InChIKey is VOROZWUUNAIJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-10-6-7-13(18)14(15(10)19)16(21)20(2)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide?
N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide has a molecular weight of 354.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 82797938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).