3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide

C18H13F2N3O — CID 113035868

IUPAC3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc(F)c2)cn1)c1cccc(F)c1
InChIInChI=1S/C18H13F2N3O/c19-13-4-1-3-12(9-13)18(24)23-17-8-7-16(11-21-17)22-15-6-2-5-14(20)10-15/h1-11,22H,(H,21,23,24)
InChIKeyLQHANUAHGTXWKG-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.36
Rot. Bonds4

About 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide

3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide (PubChem CID 113035868) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
PubChem CID113035868
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc(F)c2)cn1)c1cccc(F)c1
InChIInChI=1S/C18H13F2N3O/c19-13-4-1-3-12(9-13)18(24)23-17-8-7-16(11-21-17)22-15-6-2-5-14(20)10-15/h1-11,22H,(H,21,23,24)
InChIKeyLQHANUAHGTXWKG-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide (CID 113035868) is 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide is O=C(Nc1ccc(Nc2cccc(F)c2)cn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide?
The InChIKey is LQHANUAHGTXWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-13-4-1-3-12(9-13)18(24)23-17-8-7-16(11-21-17)22-15-6-2-5-14(20)10-15/h1-11,22H,(H,21,23,24).
What are the key properties of 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide?
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide has a molecular weight of 325.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113035868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).