5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide

C14H13F2N3O — CID 61092654

IUPAC5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1F)c1ccccn1
InChIInChI=1S/C14H13F2N3O/c1-8(13-4-2-3-5-18-13)19-14(20)9-6-12(17)11(16)7-10(9)15/h2-8H,17H2,1H3,(H,19,20)
InChIKeyRWWNTDBWDVULSR-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide

5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 61092654) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID61092654
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1F)c1ccccn1
InChIInChI=1S/C14H13F2N3O/c1-8(13-4-2-3-5-18-13)19-14(20)9-6-12(17)11(16)7-10(9)15/h2-8H,17H2,1H3,(H,19,20)
InChIKeyRWWNTDBWDVULSR-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 61094421
2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide
CID 43524403
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 43524573
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide (CID 61092654) is 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1cc(N)c(F)cc1F)c1ccccn1.
What is the InChIKey of 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is RWWNTDBWDVULSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8(13-4-2-3-5-18-13)19-14(20)9-6-12(17)11(16)7-10(9)15/h2-8H,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide?
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 61092654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).