2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C19H13ClF2N2O — CID 600291

IUPAC2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H13ClF2N2O/c20-16-11-18(22)17(21)10-15(16)19(25)24-14-3-1-12(2-4-14)9-13-5-7-23-8-6-13/h1-8,10-11H,9H2,(H,24,25)
InChIKeyRQMYMUFUXZPEDE-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.86
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 600291) has the molecular formula C19H13ClF2N2O and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID600291
Molecular FormulaC19H13ClF2N2O
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H13ClF2N2O/c20-16-11-18(22)17(21)10-15(16)19(25)24-14-3-1-12(2-4-14)9-13-5-7-23-8-6-13/h1-8,10-11H,9H2,(H,24,25)
InChIKeyRQMYMUFUXZPEDE-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 600291) is 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is RQMYMUFUXZPEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O/c20-16-11-18(22)17(21)10-15(16)19(25)24-14-3-1-12(2-4-14)9-13-5-7-23-8-6-13/h1-8,10-11H,9H2,(H,24,25).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 358.78 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 600291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).