N-(3-bromophenyl)-3,5-difluorobenzamide

C13H8BrF2NO — CID 3660841

IUPACN-(3-bromophenyl)-3,5-difluorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H8BrF2NO/c14-9-2-1-3-12(6-9)17-13(18)8-4-10(15)7-11(16)5-8/h1-7H,(H,17,18)
InChIKeyWVPVAKGLBWIMHB-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.98
Rot. Bonds2

About N-(3-bromophenyl)-3,5-difluorobenzamide

N-(3-bromophenyl)-3,5-difluorobenzamide (PubChem CID 3660841) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,5-difluorobenzamide
PubChem CID3660841
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC NameN-(3-bromophenyl)-3,5-difluorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H8BrF2NO/c14-9-2-1-3-12(6-9)17-13(18)8-4-10(15)7-11(16)5-8/h1-7H,(H,17,18)
InChIKeyWVPVAKGLBWIMHB-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
CID 55706623
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,5-difluorobenzamide?
The IUPAC name of N-(3-bromophenyl)-3,5-difluorobenzamide (CID 3660841) is N-(3-bromophenyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(3-bromophenyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(3-bromophenyl)-3,5-difluorobenzamide is O=C(Nc1cccc(Br)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3-bromophenyl)-3,5-difluorobenzamide?
The InChIKey is WVPVAKGLBWIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-9-2-1-3-12(6-9)17-13(18)8-4-10(15)7-11(16)5-8/h1-7H,(H,17,18).
What are the key properties of N-(3-bromophenyl)-3,5-difluorobenzamide?
N-(3-bromophenyl)-3,5-difluorobenzamide has a molecular weight of 312.11 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 3660841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).