1-(2-chlorophenyl)-3-prop-2-enylurea

C10H11ClN2O — CID 4277664

IUPAC1-(2-chlorophenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h2-6H,1,7H2,(H2,12,13,14)
InChIKeyAWTCJUDXLFXAQY-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.65
Rot. Bonds3

About 1-(2-chlorophenyl)-3-prop-2-enylurea

1-(2-chlorophenyl)-3-prop-2-enylurea (PubChem CID 4277664) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-prop-2-enylurea
PubChem CID4277664
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(2-chlorophenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h2-6H,1,7H2,(H2,12,13,14)
InChIKeyAWTCJUDXLFXAQY-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
CID 5122456
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
CID 3866775

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-prop-2-enylurea (CID 4277664) is 1-(2-chlorophenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-prop-2-enylurea?
The InChIKey is AWTCJUDXLFXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h2-6H,1,7H2,(H2,12,13,14).
What are the key properties of 1-(2-chlorophenyl)-3-prop-2-enylurea?
1-(2-chlorophenyl)-3-prop-2-enylurea has a molecular weight of 210.66 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-prop-2-enylurea is sourced from PubChem (CID 4277664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).