1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea

C11H15FN2O2 — CID 117235352

IUPAC1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8(15)6-13-11(16)14-7-9-3-2-4-10(12)5-9/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
InChIKeyBGBJKWZIAOFVTH-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.01
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea

1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea (PubChem CID 117235352) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
PubChem CID117235352
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8(15)6-13-11(16)14-7-9-3-2-4-10(12)5-9/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
InChIKeyBGBJKWZIAOFVTH-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea 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-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]butanoic acid
CID 65218757
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
CID 108909716
(2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71461261
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea (CID 117235352) is 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea?
The InChIKey is BGBJKWZIAOFVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(15)6-13-11(16)14-7-9-3-2-4-10(12)5-9/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea?
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea has a molecular weight of 226.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 117235352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).