1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

C17H16ClFN2O — CID 108908195

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESCc1cc(C)c(NC(=O)N/C=C/c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O/c1-11-9-12(2)16(15(18)10-11)21-17(22)20-8-7-13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H2,20,21,22)/b8-7+
InChIKeySMNKHUZKZYJRAN-BQYQJAHWSA-N
MW318.78 g/mol
LogP4.89
Rot. Bonds3

About 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108908195) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108908195
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESCc1cc(C)c(NC(=O)N/C=C/c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O/c1-11-9-12(2)16(15(18)10-11)21-17(22)20-8-7-13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H2,20,21,22)/b8-7+
InChIKeySMNKHUZKZYJRAN-BQYQJAHWSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914830
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
CID 108908260
1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
CID 108908299
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide
CID 18278830
1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908008
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108908195) is 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is Cc1cc(C)c(NC(=O)N/C=C/c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is SMNKHUZKZYJRAN-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c1-11-9-12(2)16(15(18)10-11)21-17(22)20-8-7-13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H2,20,21,22)/b8-7+.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea has a molecular weight of 318.78 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108908195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).