5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

C20H17ClFN3O — CID 109191800

IUPAC5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O/c21-17-12-15(6-8-18(17)22)25-16-7-9-19(24-13-16)20(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13,25H,10-11H2,(H,23,26)
InChIKeyJLRJDOWMKQSBKY-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.59
Rot. Bonds6

About 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109191800) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109191800
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O/c21-17-12-15(6-8-18(17)22)25-16-7-9-19(24-13-16)20(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13,25H,10-11H2,(H,23,26)
InChIKeyJLRJDOWMKQSBKY-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191832
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284289
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109191800) is 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is JLRJDOWMKQSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-17-12-15(6-8-18(17)22)25-16-7-9-19(24-13-16)20(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13,25H,10-11H2,(H,23,26).
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).