2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide

C17H12BrF2N3O — CID 99637033

IUPAC2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
SMILESO=C(NCc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1Br
InChIInChI=1S/C17H12BrF2N3O/c18-16-6-3-12(20)9-15(16)17(24)21-10-13-7-8-23(22-13)14-4-1-11(19)2-5-14/h1-9H,10H2,(H,21,24)
InChIKeyHLCVJHPQQWPBFX-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide

2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide (PubChem CID 99637033) has the molecular formula C17H12BrF2N3O and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
PubChem CID99637033
Molecular FormulaC17H12BrF2N3O
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC Name2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
SMILESO=C(NCc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1Br
InChIInChI=1S/C17H12BrF2N3O/c18-16-6-3-12(20)9-15(16)17(24)21-10-13-7-8-23(22-13)14-4-1-11(19)2-5-14/h1-9H,10H2,(H,21,24)
InChIKeyHLCVJHPQQWPBFX-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 52560940
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-N-[(4-carbamothioylphenyl)methyl]-5-fluorobenzamide
CID 62309631
2-bromo-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292162
(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
CID 97330409
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide (CID 99637033) is 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide is O=C(NCc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide?
The InChIKey is HLCVJHPQQWPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N3O/c18-16-6-3-12(20)9-15(16)17(24)21-10-13-7-8-23(22-13)14-4-1-11(19)2-5-14/h1-9H,10H2,(H,21,24).
What are the key properties of 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide?
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide has a molecular weight of 392.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide is sourced from PubChem (CID 99637033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).