N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide

C14H9BrClF2NO — CID 107987901

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H9BrClF2NO/c15-10-2-4-12(17)9(5-10)7-19-14(20)8-1-3-11(16)13(18)6-8/h1-6H,7H2,(H,19,20)
InChIKeySITXGESJKZZTFN-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.31
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide

N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide (PubChem CID 107987901) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
PubChem CID107987901
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H9BrClF2NO/c15-10-2-4-12(17)9(5-10)7-19-14(20)8-1-3-11(16)13(18)6-8/h1-6H,7H2,(H,19,20)
InChIKeySITXGESJKZZTFN-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
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-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide (CID 107987901) is N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide is O=C(NCc1cc(Br)ccc1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide?
The InChIKey is SITXGESJKZZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c15-10-2-4-12(17)9(5-10)7-19-14(20)8-1-3-11(16)13(18)6-8/h1-6H,7H2,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide has a molecular weight of 360.59 g/mol, XLogP of 4.31, 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-chloro-3-fluorobenzamide is sourced from PubChem (CID 107987901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).