1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea

C12H12Cl2N2O — CID 108915680

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(N/C=C/C1CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c13-10-4-3-9(7-11(10)14)16-12(17)15-6-5-8-1-2-8/h3-8H,1-2H2,(H2,15,16,17)/b6-5+
InChIKeyQNSFSLJLXLDFLR-AATRIKPKSA-N
MW271.15 g/mol
LogP4.04
Rot. Bonds3

About 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea

1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 108915680) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
PubChem CID108915680
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(N/C=C/C1CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c13-10-4-3-9(7-11(10)14)16-12(17)15-6-5-8-1-2-8/h3-8H,1-2H2,(H2,15,16,17)/b6-5+
InChIKeyQNSFSLJLXLDFLR-AATRIKPKSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912236
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
CID 108915686
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911970
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea (CID 108915680) is 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea is O=C(N/C=C/C1CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is QNSFSLJLXLDFLR-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-10-4-3-9(7-11(10)14)16-12(17)15-6-5-8-1-2-8/h3-8H,1-2H2,(H2,15,16,17)/b6-5+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 271.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 108915680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).