2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

C16H15F3N2O — CID 109000392

IUPAC2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CNc1ccc(F)c(F)c1)NCCc1ccccc1F
InChIInChI=1S/C16H15F3N2O/c17-13-4-2-1-3-11(13)7-8-20-16(22)10-21-12-5-6-14(18)15(19)9-12/h1-6,9,21H,7-8,10H2,(H,20,22)
InChIKeyXPOXEHUHUGMTQT-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.87
Rot. Bonds6

About 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 109000392) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID109000392
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CNc1ccc(F)c(F)c1)NCCc1ccccc1F
InChIInChI=1S/C16H15F3N2O/c17-13-4-2-1-3-11(13)7-8-20-16(22)10-21-12-5-6-14(18)15(19)9-12/h1-6,9,21H,7-8,10H2,(H,20,22)
InChIKeyXPOXEHUHUGMTQT-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000360
2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000327
N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 31773664
N-[2-(2-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000338
3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024765
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000386
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 109000392) is 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is O=C(CNc1ccc(F)c(F)c1)NCCc1ccccc1F.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is XPOXEHUHUGMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-13-4-2-1-3-11(13)7-8-20-16(22)10-21-12-5-6-14(18)15(19)9-12/h1-6,9,21H,7-8,10H2,(H,20,22).
What are the key properties of 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 308.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 109000392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).