1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone

C14H12F2N2O — CID 94274466

IUPAC1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESO=C(CNCc1ccccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O/c15-12-5-4-10(7-13(12)16)14(19)9-17-8-11-3-1-2-6-18-11/h1-7,17H,8-9H2
InChIKeyDUTMVJCPUAYYFU-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.33
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone

1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone (PubChem CID 94274466) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
PubChem CID94274466
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESO=C(CNCc1ccccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O/c15-12-5-4-10(7-13(12)16)14(19)9-17-8-11-3-1-2-6-18-11/h1-7,17H,8-9H2
InChIKeyDUTMVJCPUAYYFU-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101270
1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101225
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
1-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101747
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101894
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907
methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
CID 43684452
1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 116832929
4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
CID 107957284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone (CID 94274466) is 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone is O=C(CNCc1ccccn1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The InChIKey is DUTMVJCPUAYYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-12-5-4-10(7-13(12)16)14(19)9-17-8-11-3-1-2-6-18-11/h1-7,17H,8-9H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone?
1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone has a molecular weight of 262.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone is sourced from PubChem (CID 94274466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).