3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide

C16H14BrFN2O2 — CID 55706623

IUPAC3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFN2O2/c1-20(2)16(22)10-4-3-5-14(8-10)19-15(21)11-6-12(17)9-13(18)7-11/h3-9H,1-2H3,(H,19,21)
InChIKeyNIADQNNHHWYURD-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.54
Rot. Bonds3

About 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide

3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide (PubChem CID 55706623) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
PubChem CID55706623
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFN2O2/c1-20(2)16(22)10-4-3-5-14(8-10)19-15(21)11-6-12(17)9-13(18)7-11/h3-9H,1-2H3,(H,19,21)
InChIKeyNIADQNNHHWYURD-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-fluorobenzamide
CID 86990495
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
3-bromo-N-[4-(dimethylamino)-3-methylphenyl]-5-fluorobenzamide
CID 55713089
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-[3-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231768
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide (CID 55706623) is 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide is CN(C)C(=O)c1cccc(NC(=O)c2cc(F)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide?
The InChIKey is NIADQNNHHWYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-20(2)16(22)10-4-3-5-14(8-10)19-15(21)11-6-12(17)9-13(18)7-11/h3-9H,1-2H3,(H,19,21).
What are the key properties of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide?
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide has a molecular weight of 365.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide is sourced from PubChem (CID 55706623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).