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

C14H10BrF2NO — CID 46460791

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H10BrF2NO/c15-11-3-6-13(17)10(7-11)8-18-14(19)9-1-4-12(16)5-2-9/h1-7H,8H2,(H,18,19)
InChIKeyDNWLUDNMYRNPIE-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.66
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide (PubChem CID 46460791) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
PubChem CID46460791
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H10BrF2NO/c15-11-3-6-13(17)10(7-11)8-18-14(19)9-1-4-12(16)5-2-9/h1-7H,8H2,(H,18,19)
InChIKeyDNWLUDNMYRNPIE-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide (CID 46460791) is N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide is O=C(NCc1cc(Br)ccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is DNWLUDNMYRNPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-11-3-6-13(17)10(7-11)8-18-14(19)9-1-4-12(16)5-2-9/h1-7H,8H2,(H,18,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide has a molecular weight of 326.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 46460791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).