2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide

C18H21FN2O — CID 78841829

IUPAC2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCCc1cccc(NC(C)C(=O)Nc2ccc(C)cc2F)c1
InChIInChI=1S/C18H21FN2O/c1-4-14-6-5-7-15(11-14)20-13(3)18(22)21-17-9-8-12(2)10-16(17)19/h5-11,13,20H,4H2,1-3H3,(H,21,22)
InChIKeyUQTXLOSPEOVQMG-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.14
Rot. Bonds5

About 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide

2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 78841829) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID78841829
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCCc1cccc(NC(C)C(=O)Nc2ccc(C)cc2F)c1
InChIInChI=1S/C18H21FN2O/c1-4-14-6-5-7-15(11-14)20-13(3)18(22)21-17-9-8-12(2)10-16(17)19/h5-11,13,20H,4H2,1-3H3,(H,21,22)
InChIKeyUQTXLOSPEOVQMG-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 75507095
N-(2-bromo-4-methylphenyl)-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propanamide
CID 55598286
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide (CID 78841829) is 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide is CCc1cccc(NC(C)C(=O)Nc2ccc(C)cc2F)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is UQTXLOSPEOVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-4-14-6-5-7-15(11-14)20-13(3)18(22)21-17-9-8-12(2)10-16(17)19/h5-11,13,20H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide?
2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 300.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 78841829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).