2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide

C16H10Cl3FN4O — CID 108732661

IUPAC2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C16H10Cl3FN4O/c1-8-5-13(22-16(25)14-10(18)3-2-4-12(14)20)24(23-8)15-11(19)6-9(17)7-21-15/h2-7H,1H3,(H,22,25)
InChIKeyYDKMXANMPNGWAB-UHFFFAOYSA-N
MW399.64 g/mol
LogP4.93
Rot. Bonds3

About 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide

2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide (PubChem CID 108732661) has the molecular formula C16H10Cl3FN4O and a molecular weight of 399.64 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
PubChem CID108732661
Molecular FormulaC16H10Cl3FN4O
Molecular Weight399.64 g/mol
Exact Mass397.99
IUPAC Name2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C16H10Cl3FN4O/c1-8-5-13(22-16(25)14-10(18)3-2-4-12(14)20)24(23-8)15-11(19)6-9(17)7-21-15/h2-7H,1H3,(H,22,25)
InChIKeyYDKMXANMPNGWAB-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.64
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 108756056
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
CID 108756176
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054
N-[6-[[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]amino]-6-oxohexyl]benzamide
CID 108732627
2-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 135753087
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
2-chloro-6-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 108731525
2-chloro-6-fluoro-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136630562
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108756105
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 108756112
2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 25282155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide (CID 108732661) is 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide is Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide?
The InChIKey is YDKMXANMPNGWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN4O/c1-8-5-13(22-16(25)14-10(18)3-2-4-12(14)20)24(23-8)15-11(19)6-9(17)7-21-15/h2-7H,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide?
2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide has a molecular weight of 399.64 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide is sourced from PubChem (CID 108732661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).