3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide

C21H19F2N3O — CID 113017842

IUPAC3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C21H19F2N3O/c1-13(2)14-3-6-16(7-4-14)25-20-10-8-17(12-24-20)26-21(27)15-5-9-18(22)19(23)11-15/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyRWPBXOWWRCRAJM-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.48
Rot. Bonds5

About 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide

3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113017842) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
PubChem CID113017842
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C21H19F2N3O/c1-13(2)14-3-6-16(7-4-14)25-20-10-8-17(12-24-20)26-21(27)15-5-9-18(22)19(23)11-15/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChIKeyRWPBXOWWRCRAJM-UHFFFAOYSA-N
XLogP5.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide (CID 113017842) is 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide is CC(C)c1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1.
What is the InChIKey of 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is RWPBXOWWRCRAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-13(2)14-3-6-16(7-4-14)25-20-10-8-17(12-24-20)26-21(27)15-5-9-18(22)19(23)11-15/h3-13H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide?
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 367.40 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113017842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).