2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide

C15H13BrFNO — CID 81003545

IUPAC2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)c2cccc(F)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-10-6-7-14(16)13(8-10)15(19)18(2)12-5-3-4-11(17)9-12/h3-9H,1-2H3
InChIKeyCMLXHDRCKSDAGV-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.17
Rot. Bonds2

About 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide

2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide (PubChem CID 81003545) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
PubChem CID81003545
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)c2cccc(F)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-10-6-7-14(16)13(8-10)15(19)18(2)12-5-3-4-11(17)9-12/h3-9H,1-2H3
InChIKeyCMLXHDRCKSDAGV-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 63799890
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
CID 86963073
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide (CID 81003545) is 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide is Cc1ccc(Br)c(C(=O)N(C)c2cccc(F)c2)c1.
What is the InChIKey of 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide?
The InChIKey is CMLXHDRCKSDAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-6-7-14(16)13(8-10)15(19)18(2)12-5-3-4-11(17)9-12/h3-9H,1-2H3.
What are the key properties of 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide?
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 81003545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).