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

C19H16FN3O — CID 113031425

IUPAC4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)c1
InChIInChI=1S/C19H16FN3O/c1-13-3-2-4-16(11-13)22-17-9-10-18(21-12-17)23-19(24)14-5-7-15(20)8-6-14/h2-12,22H,1H3,(H,21,23,24)
InChIKeyJVZWSUMOIXDPTM-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.53
Rot. Bonds4

About 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide

4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide (PubChem CID 113031425) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
PubChem CID113031425
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)c1
InChIInChI=1S/C19H16FN3O/c1-13-3-2-4-16(11-13)22-17-9-10-18(21-12-17)23-19(24)14-5-7-15(20)8-6-14/h2-12,22H,1H3,(H,21,23,24)
InChIKeyJVZWSUMOIXDPTM-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide (CID 113031425) is 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide is Cc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)c1.
What is the InChIKey of 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
The InChIKey is JVZWSUMOIXDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-13-3-2-4-16(11-13)22-17-9-10-18(21-12-17)23-19(24)14-5-7-15(20)8-6-14/h2-12,22H,1H3,(H,21,23,24).
What are the key properties of 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide has a molecular weight of 321.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).