1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea

C11H11ClN2O2 — CID 134871496

IUPAC1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea
SMILESCCCN(C(=O)N=C=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-2-7-14(11(16)13-8-15)10-6-4-3-5-9(10)12/h3-6H,2,7H2,1H3
InChIKeyYARSEDJXHYDETN-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea

1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea (PubChem CID 134871496) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea
PubChem CID134871496
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea
SMILESCCCN(C(=O)N=C=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-2-7-14(11(16)13-8-15)10-6-4-3-5-9(10)12/h3-6H,2,7H2,1H3
InChIKeyYARSEDJXHYDETN-UHFFFAOYSA-N
XLogP3.01
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.01
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

1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea
CID 134892075
N-butyl-N-(2-chlorophenyl)-3,3-dimethylbutanamide
CID 18736065
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
N-butyl-N-(2-chlorophenyl)nitrous amide
CID 154147986
3-[2-chloro-N-(2-methylpropanoyl)anilino]propanoic acid
CID 28764433
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
CID 28765640
3-(N-butyl-2-chloroanilino)-2-methylpropanoic acid
CID 82318030
4-(2-chloro-N-ethylsulfonylanilino)butanoic acid
CID 50889817

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea (CID 134871496) is 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea is CCCN(C(=O)N=C=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea?
The InChIKey is YARSEDJXHYDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-7-14(11(16)13-8-15)10-6-4-3-5-9(10)12/h3-6H,2,7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea?
1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea has a molecular weight of 238.67 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(oxomethylidene)-1-propylurea is sourced from PubChem (CID 134871496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).