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

C16H16ClFN2O — CID 46555601

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c17-14-5-1-13(2-6-14)11-20-16(21)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyKTGRGHFKMQZCNG-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.52
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 46555601) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID46555601
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c17-14-5-1-13(2-6-14)11-20-16(21)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyKTGRGHFKMQZCNG-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 34668652
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 46555601) is 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea is O=C(NCCc1ccc(F)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is KTGRGHFKMQZCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-14-5-1-13(2-6-14)11-20-16(21)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H2,19,20,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 306.77 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 46555601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).