1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea

C13H19FN2O2 — CID 110775057

IUPAC1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(OCC)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-7-15-13(17)16-9-10-5-6-12(18-4-2)11(14)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyWBPBJWMIHNPFRQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.43
Rot. Bonds6

About 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea

1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea (PubChem CID 110775057) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
PubChem CID110775057
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(OCC)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-7-15-13(17)16-9-10-5-6-12(18-4-2)11(14)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyWBPBJWMIHNPFRQ-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethoxy-3-fluorophenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506012
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 56781467
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
2-(dimethylamino)-N-[3-[[(4-ethoxy-3-fluorophenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 86895610
2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide
CID 115175104
1-butyl-3-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylguanidine
CID 111833163
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613
N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 110793966

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea (CID 110775057) is 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc(OCC)c(F)c1.
What is the InChIKey of 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea?
The InChIKey is WBPBJWMIHNPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-7-15-13(17)16-9-10-5-6-12(18-4-2)11(14)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea?
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea has a molecular weight of 254.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea is sourced from PubChem (CID 110775057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).