1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea

C17H18F2N2O2 — CID 53581747

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
SMILESC1=CC(=CC(=C1)F)C(CNC(=O)NCCC2=CC=C(C=C2)F)O
InChIInChI=1S/C17H18F2N2O2/c18-14-6-4-12(5-7-14)8-9-20-17(23)21-11-16(22)13-2-1-3-15(19)10-13/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)
InChIKeyBDZIFZRSYJFROP-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea

1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 53581747) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID53581747
Molecular FormulaC17H18F2N2O2
Molecular Weight320.33 g/mol
Exact Mass320.13
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
SMILESC1=CC(=CC(=C1)F)C(CNC(=O)NCCC2=CC=C(C=C2)F)O
InChIInChI=1S/C17H18F2N2O2/c18-14-6-4-12(5-7-14)8-9-20-17(23)21-11-16(22)13-2-1-3-15(19)10-13/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)
InChIKeyBDZIFZRSYJFROP-UHFFFAOYSA-N
XLogP2.40
TPSA61.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity363

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]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

Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
Urea, (beta-hydroxyphenethyl)-
CID 212827
Butyl [2,2,2-trifluoro-1-[(2-hydroxy-2-phenylethyl)amino]-1-(trifluoromethyl)ethyl]carbamate
CID 2729327
Bis[(R)-beta-hydroxyphenethyl]amine
CID 902475
1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127044774
N'-Cyclohexyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid
CID 209000
2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
CID 11404
Ethyl 2,2,2-trifluoro-1-[(2-hydroxy-2-phenylethyl)amino]-1-(trifluoromethyl)ethylcarbamate
CID 383569
(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 11196418
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844
(E)-N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 145952016
1-Phenyl-2-(3-phenylpropylamino)ethanol
CID 20212437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea (CID 53581747) is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea is C1=CC(=CC(=C1)F)C(CNC(=O)NCCC2=CC=C(C=C2)F)O.
What is the InChIKey of 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is BDZIFZRSYJFROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-14-6-4-12(5-7-14)8-9-20-17(23)21-11-16(22)13-2-1-3-15(19)10-13/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23).
What are the key properties of 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 320.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-Fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 53581747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).