1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea

C10H9ClN2O2 — CID 134892075

IUPAC1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea
SMILESCCN(C(=O)N=C=O)c1ccccc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-13(10(15)12-7-14)9-6-4-3-5-8(9)11/h3-6H,2H2,1H3
InChIKeyGIPKZHQUCCPPCB-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.62
Rot. Bonds2

About 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea

1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea (PubChem CID 134892075) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea
PubChem CID134892075
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea
SMILESCCN(C(=O)N=C=O)c1ccccc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-13(10(15)12-7-14)9-6-4-3-5-8(9)11/h3-6H,2H2,1H3
InChIKeyGIPKZHQUCCPPCB-UHFFFAOYSA-N
XLogP2.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

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CID 134871496
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2-(2-chloro-N-ethylanilino)ethanol
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3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
CID 28765640
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate
CID 167956710
N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
CID 18736065
propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
CID 13258029
N-(2-chlorophenyl)-N-(cyanomethyl)benzamide
CID 10588153
(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea
CID 21413877

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea?
The IUPAC name of 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea (CID 134892075) is 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea?
The canonical SMILES for 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea is CCN(C(=O)N=C=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea?
The InChIKey is GIPKZHQUCCPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13(10(15)12-7-14)9-6-4-3-5-8(9)11/h3-6H,2H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea?
1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea has a molecular weight of 224.65 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea is sourced from PubChem (CID 134892075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).