N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide

C17H11Cl2F2N3O — CID 46947566

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C17H11Cl2F2N3O/c18-11-5-4-10(12(19)8-11)9-24-7-6-15(23-24)22-17(25)16-13(20)2-1-3-14(16)21/h1-8H,9H2,(H,22,23,25)
InChIKeyWHROJLWOTHZHLY-UHFFFAOYSA-N
MW382.20 g/mol
LogP4.77
Rot. Bonds4

About N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 46947566) has the molecular formula C17H11Cl2F2N3O and a molecular weight of 382.20 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID46947566
Molecular FormulaC17H11Cl2F2N3O
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C17H11Cl2F2N3O/c18-11-5-4-10(12(19)8-11)9-24-7-6-15(23-24)22-17(25)16-13(20)2-1-3-14(16)21/h1-8H,9H2,(H,22,23,25)
InChIKeyWHROJLWOTHZHLY-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide (CID 46947566) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1c(F)cccc1F.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is WHROJLWOTHZHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O/c18-11-5-4-10(12(19)8-11)9-24-7-6-15(23-24)22-17(25)16-13(20)2-1-3-14(16)21/h1-8H,9H2,(H,22,23,25).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 382.20 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 46947566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).