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

C15H14FIN2O — CID 47154313

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H14FIN2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyVJIHPJZEWYXZAR-UHFFFAOYSA-N
MW384.19 g/mol
LogP3.79
Rot. Bonds4

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

1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea (PubChem CID 47154313) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
PubChem CID47154313
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H14FIN2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyVJIHPJZEWYXZAR-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
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1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143
4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416469
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
1-(4-iodophenyl)-3-(3-oxobutyl)urea
CID 108895214
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
CID 121062019

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea (CID 47154313) is 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea is O=C(NCCc1ccc(F)cc1)Nc1ccc(I)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea?
The InChIKey is VJIHPJZEWYXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIN2O/c16-12-3-1-11(2-4-12)9-10-18-15(20)19-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea has a molecular weight of 384.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea is sourced from PubChem (CID 47154313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).