2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide

C16H13ClFN3O2 — CID 71797306

IUPAC2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
SMILESCn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
InChIInChI=1S/C16H13ClFN3O2/c1-21-14(15-3-2-6-23-15)8-11(20-21)9-19-16(22)12-5-4-10(18)7-13(12)17/h2-8H,9H2,1H3,(H,19,22)
InChIKeyBBIJFFKWLDJBQP-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide

2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide (PubChem CID 71797306) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
PubChem CID71797306
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
SMILESCn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1
InChIInChI=1S/C16H13ClFN3O2/c1-21-14(15-3-2-6-23-15)8-11(20-21)9-19-16(22)12-5-4-10(18)7-13(12)17/h2-8H,9H2,1H3,(H,19,22)
InChIKeyBBIJFFKWLDJBQP-UHFFFAOYSA-N
XLogP3.40
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide (CID 71797306) is 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide is Cn1nc(CNC(=O)c2ccc(F)cc2Cl)cc1-c1ccco1.
What is the InChIKey of 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
The InChIKey is BBIJFFKWLDJBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-21-14(15-3-2-6-23-15)8-11(20-21)9-19-16(22)12-5-4-10(18)7-13(12)17/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide has a molecular weight of 333.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide is sourced from PubChem (CID 71797306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).