1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea

C16H16ClFN2O2 — CID 108896691

IUPAC1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H16ClFN2O2/c1-22-12-5-2-4-11(10-12)8-9-19-16(21)20-15-13(17)6-3-7-14(15)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyWQCXSUCFPKQBDT-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea

1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 108896691) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID108896691
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H16ClFN2O2/c1-22-12-5-2-4-11(10-12)8-9-19-16(21)20-15-13(17)6-3-7-14(15)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyWQCXSUCFPKQBDT-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (CID 108896691) is 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is WQCXSUCFPKQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-22-12-5-2-4-11(10-12)8-9-19-16(21)20-15-13(17)6-3-7-14(15)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 322.77 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108896691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).