3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide

C18H21FN2O — CID 109021070

IUPAC3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCc1ccccc1NCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O/c1-2-15-5-3-4-6-17(15)20-12-11-18(22)21-13-14-7-9-16(19)10-8-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyUJVBXZZPQIQCBY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.51
Rot. Bonds7

About 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide

3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 109021070) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID109021070
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCc1ccccc1NCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O/c1-2-15-5-3-4-6-17(15)20-12-11-18(22)21-13-14-7-9-16(19)10-8-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyUJVBXZZPQIQCBY-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide (CID 109021070) is 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide is CCc1ccccc1NCCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is UJVBXZZPQIQCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-2-15-5-3-4-6-17(15)20-12-11-18(22)21-13-14-7-9-16(19)10-8-14/h3-10,20H,2,11-13H2,1H3,(H,21,22).
What are the key properties of 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109021070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).