1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea

C16H17IN2O — CID 47186088

IUPAC1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
SMILESCc1cc(I)ccc1NC(=O)NCCc1ccccc1
InChIInChI=1S/C16H17IN2O/c1-12-11-14(17)7-8-15(12)19-16(20)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyQLTJAFFHLORRGH-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea

1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea (PubChem CID 47186088) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
PubChem CID47186088
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
SMILESCc1cc(I)ccc1NC(=O)NCCc1ccccc1
InChIInChI=1S/C16H17IN2O/c1-12-11-14(17)7-8-15(12)19-16(20)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyQLTJAFFHLORRGH-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.96
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-(2-bromophenyl)ethyl]-3-(4-iodo-2-methylphenyl)urea
CID 108900513
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
4-iodo-2-methyl-N-(2-phenylethyl)aniline
CID 43227953
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
(Z)-2-cyano-3-(4-iodo-2-methylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835151
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(4-iodo-2-methylphenyl)urea
CID 108889428
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
1-[2-(4-bromophenyl)ethyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108902269
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea (CID 47186088) is 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea is Cc1cc(I)ccc1NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea?
The InChIKey is QLTJAFFHLORRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-12-11-14(17)7-8-15(12)19-16(20)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea?
1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea has a molecular weight of 380.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 47186088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).