2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide

C14H11ClF2N2O — CID 2970246

IUPAC2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c(F)cc1Cl)c1ccncc1
InChIInChI=1S/C14H11ClF2N2O/c1-8(9-2-4-18-5-3-9)19-14(20)10-6-12(16)13(17)7-11(10)15/h2-8H,1H3,(H,19,20)
InChIKeyUNYPLWIXGSZFBZ-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide

2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 2970246) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID2970246
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c(F)cc1Cl)c1ccncc1
InChIInChI=1S/C14H11ClF2N2O/c1-8(9-2-4-18-5-3-9)19-14(20)10-6-12(16)13(17)7-11(10)15/h2-8H,1H3,(H,19,20)
InChIKeyUNYPLWIXGSZFBZ-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.50
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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Related Compounds

2-chloro-N-(1-pyridin-4-ylethyl)-5-sulfanylbenzamide
CID 107022770
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 61094421
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
2-chloro-4-nitro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585316
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 18145573
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide (CID 2970246) is 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1cc(F)c(F)cc1Cl)c1ccncc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is UNYPLWIXGSZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-8(9-2-4-18-5-3-9)19-14(20)10-6-12(16)13(17)7-11(10)15/h2-8H,1H3,(H,19,20).
What are the key properties of 2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide?
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 296.70 g/mol, XLogP of 3.50, 3 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-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 2970246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).