1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea

C22H21FN4O2 — CID 52596306

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21FN4O2/c23-17-11-9-16(10-12-17)13-14-24-21(28)26-19-7-4-8-20(15-19)27-22(29)25-18-5-2-1-3-6-18/h1-12,15H,13-14H2,(H2,24,26,28)(H2,25,27,29)
InChIKeyBVDOTMBUCOANOI-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.83
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea (PubChem CID 52596306) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
PubChem CID52596306
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21FN4O2/c23-17-11-9-16(10-12-17)13-14-24-21(28)26-19-7-4-8-20(15-19)27-22(29)25-18-5-2-1-3-6-18/h1-12,15H,13-14H2,(H2,24,26,28)(H2,25,27,29)
InChIKeyBVDOTMBUCOANOI-UHFFFAOYSA-N
XLogP4.83
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]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-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-[3-(cyanomethoxy)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51116764
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 23497310
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 51957933
1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616240
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea (CID 52596306) is 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea is O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
The InChIKey is BVDOTMBUCOANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-11-9-16(10-12-17)13-14-24-21(28)26-19-7-4-8-20(15-19)27-22(29)25-18-5-2-1-3-6-18/h1-12,15H,13-14H2,(H2,24,26,28)(H2,25,27,29).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea has a molecular weight of 392.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 52596306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).