1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea

C19H17ClN2O4 — CID 18454837

IUPAC1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea
SMILESCCCOc1cc(=O)oc2cc(N(Cl)C(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C19H17ClN2O4/c1-2-10-25-16-12-18(23)26-17-11-14(8-9-15(16)17)22(20)19(24)21-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,21,24)
InChIKeyYVPSUYUEGSYZJZ-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.77
Rot. Bonds5

About 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea

1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea (PubChem CID 18454837) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea.

Molecular Properties

Compound Name1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea
PubChem CID18454837
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea
SMILESCCCOc1cc(=O)oc2cc(N(Cl)C(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C19H17ClN2O4/c1-2-10-25-16-12-18(23)26-17-11-14(8-9-15(16)17)22(20)19(24)21-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,21,24)
InChIKeyYVPSUYUEGSYZJZ-UHFFFAOYSA-N
XLogP4.77
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea?
The IUPAC name of 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea (CID 18454837) is 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea.
What is the SMILES notation for 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea?
The canonical SMILES for 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea is CCCOc1cc(=O)oc2cc(N(Cl)C(=O)Nc3ccccc3)ccc12.
What is the InChIKey of 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea?
The InChIKey is YVPSUYUEGSYZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-2-10-25-16-12-18(23)26-17-11-14(8-9-15(16)17)22(20)19(24)21-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,21,24).
What are the key properties of 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea?
1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea has a molecular weight of 372.81 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-oxo-4-propoxychromen-7-yl)-3-phenylurea is sourced from PubChem (CID 18454837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).