2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

C20H18BrF2N3O — CID 55866365

IUPAC2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C20H18BrF2N3O/c1-26(20(27)17-9-8-15(23)11-18(17)21)10-2-3-16-12-19(25-24-16)13-4-6-14(22)7-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,24,25)
InChIKeyFDRLPAIYYYFEFC-UHFFFAOYSA-N
MW434.28 g/mol
LogP4.82
Rot. Bonds6

About 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (PubChem CID 55866365) has the molecular formula C20H18BrF2N3O and a molecular weight of 434.28 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
PubChem CID55866365
Molecular FormulaC20H18BrF2N3O
Molecular Weight434.28 g/mol
Exact Mass433.06
IUPAC Name2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C20H18BrF2N3O/c1-26(20(27)17-9-8-15(23)11-18(17)21)10-2-3-16-12-19(25-24-16)13-4-6-14(22)7-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,24,25)
InChIKeyFDRLPAIYYYFEFC-UHFFFAOYSA-N
XLogP4.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
CID 55766799
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 55867788
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
CID 55866237
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711
1-(3-bromophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclopropane-1-carboxamide
CID 55866377
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866373
3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (CID 55866365) is 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The InChIKey is FDRLPAIYYYFEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF2N3O/c1-26(20(27)17-9-8-15(23)11-18(17)21)10-2-3-16-12-19(25-24-16)13-4-6-14(22)7-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,24,25).
What are the key properties of 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide has a molecular weight of 434.28 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is sourced from PubChem (CID 55866365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).