1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone

C17H18FNO — CID 28556004

IUPAC1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
SMILESCCN(c1ccccc1C)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C17H18FNO/c1-4-19(16-8-6-5-7-12(16)2)17-10-9-14(18)11-15(17)13(3)20/h5-11H,4H2,1-3H3
InChIKeyBGDNDOBCZUUENA-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.49
Rot. Bonds4

About 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone

1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone (PubChem CID 28556004) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
PubChem CID28556004
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
SMILESCCN(c1ccccc1C)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C17H18FNO/c1-4-19(16-8-6-5-7-12(16)2)17-10-9-14(18)11-15(17)13(3)20/h5-11H,4H2,1-3H3
InChIKeyBGDNDOBCZUUENA-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone
CID 82967655
1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
CID 64584619
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid
CID 63537295
N-ethyl-7-fluoro-2-methyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 46550538
2-amino-4-(N-ethyl-2-methylanilino)benzoic acid
CID 104500134
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
methyl 3-amino-4-(N-ethyl-2-methylanilino)benzoate
CID 61306524
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone (CID 28556004) is 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone is CCN(c1ccccc1C)c1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone?
The InChIKey is BGDNDOBCZUUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-4-19(16-8-6-5-7-12(16)2)17-10-9-14(18)11-15(17)13(3)20/h5-11H,4H2,1-3H3.
What are the key properties of 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone?
1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone has a molecular weight of 271.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone is sourced from PubChem (CID 28556004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).