4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide

C14H13F2N3O — CID 63185192

IUPAC4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
SMILESNc1c(F)cc(C(=O)NCCc2cccnc2)cc1F
InChIInChI=1S/C14H13F2N3O/c15-11-6-10(7-12(16)13(11)17)14(20)19-5-3-9-2-1-4-18-8-9/h1-2,4,6-8H,3,5,17H2,(H,19,20)
InChIKeyMKQWAPTZFYLFRJ-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.91
Rot. Bonds4

About 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide

4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 63185192) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID63185192
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
SMILESNc1c(F)cc(C(=O)NCCc2cccnc2)cc1F
InChIInChI=1S/C14H13F2N3O/c15-11-6-10(7-12(16)13(11)17)14(20)19-5-3-9-2-1-4-18-8-9/h1-2,4,6-8H,3,5,17H2,(H,19,20)
InChIKeyMKQWAPTZFYLFRJ-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.91
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

4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
3,5-difluoro-4-hydrazinyl-N-(2-pyridin-4-ylethyl)benzamide
CID 63186092
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide (CID 63185192) is 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide is Nc1c(F)cc(C(=O)NCCc2cccnc2)cc1F.
What is the InChIKey of 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is MKQWAPTZFYLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-6-10(7-12(16)13(11)17)14(20)19-5-3-9-2-1-4-18-8-9/h1-2,4,6-8H,3,5,17H2,(H,19,20).
What are the key properties of 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide?
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 277.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 63185192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).