2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide

C18H14ClF2N3O — CID 95744761

IUPAC2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H14ClF2N3O/c19-15-9-17(21)16(20)8-14(15)18(25)23-13-10-22-24(11-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,23,25)
InChIKeyDVFNAKUOJHGMON-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.31
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide

2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide (PubChem CID 95744761) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
PubChem CID95744761
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H14ClF2N3O/c19-15-9-17(21)16(20)8-14(15)18(25)23-13-10-22-24(11-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,23,25)
InChIKeyDVFNAKUOJHGMON-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744763
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744605
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 95744528
N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19397502
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide (CID 95744761) is 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(CCc2ccccc2)c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
The InChIKey is DVFNAKUOJHGMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c19-15-9-17(21)16(20)8-14(15)18(25)23-13-10-22-24(11-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,23,25).
What are the key properties of 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide?
2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide has a molecular weight of 361.78 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 95744761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).