1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea

C11H13ClN2O — CID 108910302

IUPAC1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClN2O/c1-7(2)13-11(15)14-10-5-4-9(12)6-8(10)3/h4-6H,1H2,2-3H3,(H2,13,14,15)
InChIKeyURNHZBINNIDPJP-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea

1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910302) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
PubChem CID108910302
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClN2O/c1-7(2)13-11(15)14-10-5-4-9(12)6-8(10)3/h4-6H,1H2,2-3H3,(H2,13,14,15)
InChIKeyURNHZBINNIDPJP-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
4-[(4-chloro-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746604
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
1-(4-chloro-2-methylphenyl)-3-pyridin-1-ium-1-ylurea
CID 22748959
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea (CID 108910302) is 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea?
The InChIKey is URNHZBINNIDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(2)13-11(15)14-10-5-4-9(12)6-8(10)3/h4-6H,1H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea?
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea has a molecular weight of 224.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).