2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide

C19H13ClF2N2O2 — CID 172717976

IUPAC2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccccc2=O)cc1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C19H13ClF2N2O2/c20-18-15(22)9-8-14(21)17(18)19(26)23-11-12-4-6-13(7-5-12)24-10-2-1-3-16(24)25/h1-10H,11H2,(H,23,26)
InChIKeyGCUHWVCHDQSKFR-UHFFFAOYSA-N
MW374.77 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide

2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide (PubChem CID 172717976) has the molecular formula C19H13ClF2N2O2 and a molecular weight of 374.77 g/mol. Its IUPAC name is 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
PubChem CID172717976
Molecular FormulaC19H13ClF2N2O2
Molecular Weight374.77 g/mol
Exact Mass374.06
IUPAC Name2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccccc2=O)cc1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C19H13ClF2N2O2/c20-18-15(22)9-8-14(21)17(18)19(26)23-11-12-4-6-13(7-5-12)24-10-2-1-3-16(24)25/h1-10H,11H2,(H,23,26)
InChIKeyGCUHWVCHDQSKFR-UHFFFAOYSA-N
XLogP3.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 53.70
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

2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
CID 172754619
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
(3R,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-N,1-dimethylpyrrolidine-3,4-dicarboxamide
CID 69045961
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4597287
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide (CID 172717976) is 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide is O=C(NCc1ccc(-n2ccccc2=O)cc1)c1c(F)ccc(F)c1Cl.
What is the InChIKey of 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
The InChIKey is GCUHWVCHDQSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O2/c20-18-15(22)9-8-14(21)17(18)19(26)23-11-12-4-6-13(7-5-12)24-10-2-1-3-16(24)25/h1-10H,11H2,(H,23,26).
What are the key properties of 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide?
2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide has a molecular weight of 374.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-difluoro-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide is sourced from PubChem (CID 172717976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).