2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide

C13H9ClF2N2O — CID 878799

IUPAC2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)nc1
InChIInChI=1S/C13H9ClF2N2O/c1-7-2-3-12(17-6-7)18-13(19)8-4-10(15)11(16)5-9(8)14/h2-6H,1H3,(H,17,18,19)
InChIKeyLPWXUONYIRUZDS-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.57
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide

2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 878799) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID878799
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)nc1
InChIInChI=1S/C13H9ClF2N2O/c1-7-2-3-12(17-6-7)18-13(19)8-4-10(15)11(16)5-9(8)14/h2-6H,1H3,(H,17,18,19)
InChIKeyLPWXUONYIRUZDS-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.57
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

N-(pyridin-2-yl)benzamide
CID 219990
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
4-Aminobenzamidopyridine
CID 81976
4-(propan-2-yl)-N-(pyridin-2-yl)benzamide
CID 898760
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
3-(2,6-Dichlorophenyl)-1-methyl-7-(methylamino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328701
3-(2,6-Dichlorophenyl)-7-{[3-(diethylamino)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328704
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328705
3-(2,6-Dichlorophenyl)-7-{[5-(diethylamino)pentyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328706
1,6-naphthyridin-2(1H)-one deriv. 7n
CID 5328713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide (CID 878799) is 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)nc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is LPWXUONYIRUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c1-7-2-3-12(17-6-7)18-13(19)8-4-10(15)11(16)5-9(8)14/h2-6H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide?
2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 282.68 g/mol, XLogP of 3.57, 2 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-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 878799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).