1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea

C18H19ClN2O — CID 102415940

IUPAC1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
SMILESC/C=C(/c1ccc(Cl)cc1)N(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19ClN2O/c1-4-17(14-10-12-15(19)13-11-14)21(3)18(22)20(2)16-8-6-5-7-9-16/h4-13H,1-3H3/b17-4-
InChIKeyZQEQGUVGCXTKAJ-INGKJJEOSA-N
MW314.82 g/mol
LogP4.89
Rot. Bonds3

About 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea

1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea (PubChem CID 102415940) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
PubChem CID102415940
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
SMILESC/C=C(/c1ccc(Cl)cc1)N(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19ClN2O/c1-4-17(14-10-12-15(19)13-11-14)21(3)18(22)20(2)16-8-6-5-7-9-16/h4-13H,1-3H3/b17-4-
InChIKeyZQEQGUVGCXTKAJ-INGKJJEOSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
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1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
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1-(4-methoxyphenyl)-3-methyl-3-phenyl-1-[(Z)-1-phenylprop-1-enyl]urea
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CID 4255555
N-benzyl-4-chloro-N-phenylbenzamide
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1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
N-methyl-N-[(Z)-1-phenylbut-1-enyl]aniline
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CID 76766210

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea?
The IUPAC name of 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea (CID 102415940) is 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea.
What is the SMILES notation for 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea?
The canonical SMILES for 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea is C/C=C(/c1ccc(Cl)cc1)N(C)C(=O)N(C)c1ccccc1.
What is the InChIKey of 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea?
The InChIKey is ZQEQGUVGCXTKAJ-INGKJJEOSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-4-17(14-10-12-15(19)13-11-14)21(3)18(22)20(2)16-8-6-5-7-9-16/h4-13H,1-3H3/b17-4-.
What are the key properties of 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea?
1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea has a molecular weight of 314.82 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea is sourced from PubChem (CID 102415940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).