N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide

C16H14BrF2NO — CID 55594555

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14BrF2NO/c1-2-20(10-12-9-13(17)5-8-15(12)19)16(21)11-3-6-14(18)7-4-11/h3-9H,2,10H2,1H3
InChIKeyOMQGMLPZLCIXPD-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.39
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide (PubChem CID 55594555) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
PubChem CID55594555
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14BrF2NO/c1-2-20(10-12-9-13(17)5-8-15(12)19)16(21)11-3-6-14(18)7-4-11/h3-9H,2,10H2,1H3
InChIKeyOMQGMLPZLCIXPD-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55594677
N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
CID 55594795
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 86926377
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55594674
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-nitrobenzamide
CID 55587717
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-N-ethylpyridine-3-carboxamide
CID 112820622
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
1-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86867232
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide (CID 55594555) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide?
The InChIKey is OMQGMLPZLCIXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-2-20(10-12-9-13(17)5-8-15(12)19)16(21)11-3-6-14(18)7-4-11/h3-9H,2,10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide has a molecular weight of 354.19 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 55594555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).