2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide

C14H10BrF2NO — CID 114559597

IUPAC2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Br)c1ccccc1F
InChIInChI=1S/C14H10BrF2NO/c1-18(12-8-3-2-6-10(12)16)14(19)13-9(15)5-4-7-11(13)17/h2-8H,1H3
InChIKeyOJCBSAVMDUFLJV-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide

2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide (PubChem CID 114559597) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
PubChem CID114559597
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Br)c1ccccc1F
InChIInChI=1S/C14H10BrF2NO/c1-18(12-8-3-2-6-10(12)16)14(19)13-9(15)5-4-7-11(13)17/h2-8H,1H3
InChIKeyOJCBSAVMDUFLJV-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
5-amino-2-bromo-4-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 62815620
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide (CID 114559597) is 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1c(F)cccc1Br)c1ccccc1F.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide?
The InChIKey is OJCBSAVMDUFLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-18(12-8-3-2-6-10(12)16)14(19)13-9(15)5-4-7-11(13)17/h2-8H,1H3.
What are the key properties of 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide?
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide has a molecular weight of 326.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 114559597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).