N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide

C16H15BrFNO — CID 79770462

IUPACN-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-11-6-7-14(15(18)8-11)16(20)19(2)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyATYBKUDKGDKRJT-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.17
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide

N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide (PubChem CID 79770462) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
PubChem CID79770462
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-11-6-7-14(15(18)8-11)16(20)19(2)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyATYBKUDKGDKRJT-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
CID 82797938
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide (CID 79770462) is N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2cccc(Br)c2)c(F)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
The InChIKey is ATYBKUDKGDKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-6-7-14(15(18)8-11)16(20)19(2)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide?
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.17, 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-fluoro-N,4-dimethylbenzamide is sourced from PubChem (CID 79770462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).