1-(3-chloro-4-methylphenyl)-3-ethylurea

C10H13ClN2O — CID 3341516

IUPAC1-(3-chloro-4-methylphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-3-12-10(14)13-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyIQTZEHBSTDNGCM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.79
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-ethylurea

1-(3-chloro-4-methylphenyl)-3-ethylurea (PubChem CID 3341516) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-ethylurea
PubChem CID3341516
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-(3-chloro-4-methylphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-3-12-10(14)13-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyIQTZEHBSTDNGCM-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-ethylurea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-ethylurea (CID 3341516) is 1-(3-chloro-4-methylphenyl)-3-ethylurea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-ethylurea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-ethylurea is CCNC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-ethylurea?
The InChIKey is IQTZEHBSTDNGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-12-10(14)13-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-ethylurea?
1-(3-chloro-4-methylphenyl)-3-ethylurea has a molecular weight of 212.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-ethylurea is sourced from PubChem (CID 3341516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).