2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

C18H13F4N3O2 — CID 11794090

IUPAC2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H13F4N3O2/c1-27-16-10-15(18(20,21)22)24-25(16)12-8-6-11(7-9-12)23-17(26)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,23,26)
InChIKeyMGDIHVIGFHWUDK-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.29
Rot. Bonds4

About 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 11794090) has the molecular formula C18H13F4N3O2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
PubChem CID11794090
Molecular FormulaC18H13F4N3O2
Molecular Weight379.31 g/mol
Exact Mass379.09
IUPAC Name2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H13F4N3O2/c1-27-16-10-15(18(20,21)22)24-25(16)12-8-6-11(7-9-12)23-17(26)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,23,26)
InChIKeyMGDIHVIGFHWUDK-UHFFFAOYSA-N
XLogP4.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

NFAT Transcription Factor Regulator
CID 9931706
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2,3-difluorobenzamide
CID 10503003
N-[4-[3-(Trifluoromethyl)-5-methoxy-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10619742
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2,5-difluorobenzamide
CID 10622741
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2,3,5-trifluorobenzamide
CID 10718489
2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
5-methyl-N-[3-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 44313596
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
CID 895159
N-({4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}carbamoyl)-2-methoxybenzamide
CID 1509305
3-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509623

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (CID 11794090) is 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is COc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is MGDIHVIGFHWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2/c1-27-16-10-15(18(20,21)22)24-25(16)12-8-6-11(7-9-12)23-17(26)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,23,26).
What are the key properties of 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 379.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 11794090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).