3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate

C20H15Cl2NO5 — CID 19182213

IUPAC3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate
SMILESO=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2NO5/c21-15-7-6-13(11-16(15)22)19(25)27-9-3-8-23-18(24)14-10-12-4-1-2-5-17(12)28-20(14)26/h1-2,4-7,10-11H,3,8-9H2,(H,23,24)
InChIKeyZOUANVQFSDDLMP-UHFFFAOYSA-N
MW420.25 g/mol
LogP4.08
Rot. Bonds6

About 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate

3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate (PubChem CID 19182213) has the molecular formula C20H15Cl2NO5 and a molecular weight of 420.25 g/mol. Its IUPAC name is 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate.

Molecular Properties

Compound Name3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate
PubChem CID19182213
Molecular FormulaC20H15Cl2NO5
Molecular Weight420.25 g/mol
Exact Mass419.03
IUPAC Name3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate
SMILESO=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2NO5/c21-15-7-6-13(11-16(15)22)19(25)27-9-3-8-23-18(24)14-10-12-4-1-2-5-17(12)28-20(14)26/h1-2,4-7,10-11H,3,8-9H2,(H,23,24)
InChIKeyZOUANVQFSDDLMP-UHFFFAOYSA-N
XLogP4.08
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate
CID 19182205
3-[(2-oxochromene-3-carbonyl)amino]propyl 2-(2,4-dibromophenoxy)acetate
CID 19179701
3-[(2-oxochromene-3-carbonyl)amino]propyl 2-(4-propan-2-ylphenoxy)acetate
CID 19179789
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297
3-[(2-oxochromene-3-carbonyl)amino]propyl 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206108
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 55801625
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate?
The IUPAC name of 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate (CID 19182213) is 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate.
What is the SMILES notation for 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate?
The canonical SMILES for 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate is O=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate?
The InChIKey is ZOUANVQFSDDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO5/c21-15-7-6-13(11-16(15)22)19(25)27-9-3-8-23-18(24)14-10-12-4-1-2-5-17(12)28-20(14)26/h1-2,4-7,10-11H,3,8-9H2,(H,23,24).
What are the key properties of 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate?
3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate has a molecular weight of 420.25 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxochromene-3-carbonyl)amino]propyl 3,4-dichlorobenzoate is sourced from PubChem (CID 19182213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).