3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide

C14H12F2N2O — CID 110724487

IUPAC3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(F)c1)c1cccnc1
InChIInChI=1S/C14H12F2N2O/c1-9(11-3-2-6-17-8-11)18-14(19)10-4-5-12(15)13(16)7-10/h2-9H,1H3,(H,18,19)
InChIKeyJMGGCKPHISJDOB-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.85
Rot. Bonds3

About 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide

3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 110724487) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID110724487
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(F)c1)c1cccnc1
InChIInChI=1S/C14H12F2N2O/c1-9(11-3-2-6-17-8-11)18-14(19)10-4-5-12(15)13(16)7-10/h2-9H,1H3,(H,18,19)
InChIKeyJMGGCKPHISJDOB-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
3-fluoro-4-nitro-N-(1-pyridin-3-ylethyl)benzamide
CID 62681449
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-hydrazinyl-3-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 63212800
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide (CID 110724487) is 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(F)c(F)c1)c1cccnc1.
What is the InChIKey of 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is JMGGCKPHISJDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9(11-3-2-6-17-8-11)18-14(19)10-4-5-12(15)13(16)7-10/h2-9H,1H3,(H,18,19).
What are the key properties of 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide?
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 262.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 110724487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).