N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide

C17H10Cl2N2O3 — CID 53375224

IUPACN-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1Cl)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H10Cl2N2O3/c18-13-6-3-5-11(15(13)19)9-20-21-16(22)12-8-10-4-1-2-7-14(10)24-17(12)23/h1-9H,(H,21,22)/b20-9+
InChIKeyPYLWGZGRJGOKNZ-AWQFTUOYSA-N
MW361.18 g/mol
LogP3.86
Rot. Bonds3

About N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide (PubChem CID 53375224) has the molecular formula C17H10Cl2N2O3 and a molecular weight of 361.18 g/mol. Its IUPAC name is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
PubChem CID53375224
Molecular FormulaC17H10Cl2N2O3
Molecular Weight361.18 g/mol
Exact Mass360.01
IUPAC NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1Cl)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H10Cl2N2O3/c18-13-6-3-5-11(15(13)19)9-20-21-16(22)12-8-10-4-1-2-7-14(10)24-17(12)23/h1-9H,(H,21,22)/b20-9+
InChIKeyPYLWGZGRJGOKNZ-AWQFTUOYSA-N
XLogP3.86
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide 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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 137242181
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5333194
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
2-chloro-N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 75460469
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 5082597

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide (CID 53375224) is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide is O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The InChIKey is PYLWGZGRJGOKNZ-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O3/c18-13-6-3-5-11(15(13)19)9-20-21-16(22)12-8-10-4-1-2-7-14(10)24-17(12)23/h1-9H,(H,21,22)/b20-9+.
What are the key properties of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide?
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide has a molecular weight of 361.18 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 53375224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).