2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide

C18H15ClFN3O — CID 95744763

IUPAC2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C18H15ClFN3O/c19-15-7-4-8-16(20)17(15)18(24)22-14-11-21-23(12-14)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,22,24)
InChIKeyWQQQOCAKMSSHQR-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.17
Rot. Bonds5

About 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide

2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide (PubChem CID 95744763) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
PubChem CID95744763
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C18H15ClFN3O/c19-15-7-4-8-16(20)17(15)18(24)22-14-11-21-23(12-14)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,22,24)
InChIKeyWQQQOCAKMSSHQR-UHFFFAOYSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744761
2-chloro-6-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzamide
CID 95741363
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 95744528
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744605
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide (CID 95744763) is 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(CCc2ccccc2)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
The InChIKey is WQQQOCAKMSSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-15-7-4-8-16(20)17(15)18(24)22-14-11-21-23(12-14)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,22,24).
What are the key properties of 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide has a molecular weight of 343.79 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 95744763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).