1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea

C11H12ClN3O2 — CID 141195800

IUPAC1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea
SMILESC=CCNN(C(N)=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2/c1-2-7-14-15(11(13)17)10(16)8-3-5-9(12)6-4-8/h2-6,14H,1,7H2,(H2,13,17)
InChIKeyPOGDQPLUACPHNR-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.55
Rot. Bonds4

About 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea

1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea (PubChem CID 141195800) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea
PubChem CID141195800
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea
SMILESC=CCNN(C(N)=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2/c1-2-7-14-15(11(13)17)10(16)8-3-5-9(12)6-4-8/h2-6,14H,1,7H2,(H2,13,17)
InChIKeyPOGDQPLUACPHNR-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea?
The IUPAC name of 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea (CID 141195800) is 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea.
What is the SMILES notation for 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea?
The canonical SMILES for 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea is C=CCNN(C(N)=O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea?
The InChIKey is POGDQPLUACPHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-2-7-14-15(11(13)17)10(16)8-3-5-9(12)6-4-8/h2-6,14H,1,7H2,(H2,13,17).
What are the key properties of 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea?
1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea has a molecular weight of 253.69 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-1-(prop-2-enylamino)urea is sourced from PubChem (CID 141195800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).