1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea

C11H12ClN3O2 — CID 831821

IUPAC1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea
SMILESO=C(NNC(=O)C1CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2/c12-8-3-5-9(6-4-8)13-11(17)15-14-10(16)7-1-2-7/h3-7H,1-2H2,(H,14,16)(H2,13,15,17)
InChIKeyRVWSFVRQPJKSFZ-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.90
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea

1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea (PubChem CID 831821) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea
PubChem CID831821
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea
SMILESO=C(NNC(=O)C1CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2/c12-8-3-5-9(6-4-8)13-11(17)15-14-10(16)7-1-2-7/h3-7H,1-2H2,(H,14,16)(H2,13,15,17)
InChIKeyRVWSFVRQPJKSFZ-UHFFFAOYSA-N
XLogP1.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea (CID 831821) is 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea is O=C(NNC(=O)C1CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea?
The InChIKey is RVWSFVRQPJKSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-3-5-9(6-4-8)13-11(17)15-14-10(16)7-1-2-7/h3-7H,1-2H2,(H,14,16)(H2,13,15,17).
What are the key properties of 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea?
1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea has a molecular weight of 253.69 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(cyclopropanecarbonylamino)urea is sourced from PubChem (CID 831821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).