1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C15H17FN2O3 — CID 121086013

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H17FN2O3/c1-15(20,13-3-2-8-21-13)10-18-14(19)17-9-11-4-6-12(16)7-5-11/h2-8,20H,9-10H2,1H3,(H2,17,18,19)
InChIKeyRDSISGXYEQDVHT-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.13
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 121086013) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID121086013
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H17FN2O3/c1-15(20,13-3-2-8-21-13)10-18-14(19)17-9-11-4-6-12(16)7-5-11/h2-8,20H,9-10H2,1H3,(H2,17,18,19)
InChIKeyRDSISGXYEQDVHT-UHFFFAOYSA-N
XLogP2.13
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-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

2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111479380
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 121086013) is 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is CC(O)(CNC(=O)NCc1ccc(F)cc1)c1ccco1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is RDSISGXYEQDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-15(20,13-3-2-8-21-13)10-18-14(19)17-9-11-4-6-12(16)7-5-11/h2-8,20H,9-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 292.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 121086013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).