5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide

C21H18ClF2N3O — CID 155452629

IUPAC5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide
SMILESCCc1cc(F)ccc1Nc1cc(F)c(Cl)cc1C(=O)Nc1ccncc1C
InChIInChI=1S/C21H18ClF2N3O/c1-3-13-8-14(23)4-5-19(13)26-20-10-17(24)16(22)9-15(20)21(28)27-18-6-7-25-11-12(18)2/h4-11,26H,3H2,1-2H3,(H,25,27,28)
InChIKeyZEFVMQSPEMQTCF-UHFFFAOYSA-N
MW401.84 g/mol
LogP5.88
Rot. Bonds5

About 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide

5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide (PubChem CID 155452629) has the molecular formula C21H18ClF2N3O and a molecular weight of 401.84 g/mol. Its IUPAC name is 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide
PubChem CID155452629
Molecular FormulaC21H18ClF2N3O
Molecular Weight401.84 g/mol
Exact Mass401.11
IUPAC Name5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide
SMILESCCc1cc(F)ccc1Nc1cc(F)c(Cl)cc1C(=O)Nc1ccncc1C
InChIInChI=1S/C21H18ClF2N3O/c1-3-13-8-14(23)4-5-19(13)26-20-10-17(24)16(22)9-15(20)21(28)27-18-6-7-25-11-12(18)2/h4-11,26H,3H2,1-2H3,(H,25,27,28)
InChIKeyZEFVMQSPEMQTCF-UHFFFAOYSA-N
XLogP5.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.84
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237149
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 81236730
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 113331765
N-(2,4-difluorophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255920
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide (CID 155452629) is 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide is CCc1cc(F)ccc1Nc1cc(F)c(Cl)cc1C(=O)Nc1ccncc1C.
What is the InChIKey of 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is ZEFVMQSPEMQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N3O/c1-3-13-8-14(23)4-5-19(13)26-20-10-17(24)16(22)9-15(20)21(28)27-18-6-7-25-11-12(18)2/h4-11,26H,3H2,1-2H3,(H,25,27,28).
What are the key properties of 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide?
5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 401.84 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethyl-4-fluoroanilino)-4-fluoro-N-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 155452629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).