4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide

C19H15ClFN3O — CID 11451124

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
SMILESCCc1ccnc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1
InChIInChI=1S/C19H15ClFN3O/c1-2-12-7-9-22-17(10-12)24-19(25)14-6-5-13(11-16(14)21)18-15(20)4-3-8-23-18/h3-11H,2H2,1H3,(H,22,24,25)
InChIKeyJWUUUMWGJZFFQL-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.75
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide

4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide (PubChem CID 11451124) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
PubChem CID11451124
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
SMILESCCc1ccnc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1
InChIInChI=1S/C19H15ClFN3O/c1-2-12-7-9-22-17(10-12)24-19(25)14-6-5-13(11-16(14)21)18-15(20)4-3-8-23-18/h3-11H,2H2,1H3,(H,22,24,25)
InChIKeyJWUUUMWGJZFFQL-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
CID 11484943
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
N-(4-ethyl-2-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59781573
2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide
CID 59673340
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide
CID 134503941
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673620

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide (CID 11451124) is 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide is CCc1ccnc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is JWUUUMWGJZFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-2-12-7-9-22-17(10-12)24-19(25)14-6-5-13(11-16(14)21)18-15(20)4-3-8-23-18/h3-11H,2H2,1H3,(H,22,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 355.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 11451124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).