N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide

C20H17ClN2O3 — CID 25148688

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3Cl)cc(=O)oc12
InChIInChI=1S/C20H17ClN2O3/c1-12-7-8-13(2)20-19(12)15(10-18(25)26-20)9-17(24)23-22-11-14-5-3-4-6-16(14)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)/b22-11+
InChIKeyCUDBXJOAULIOOA-SSDVNMTOSA-N
MW368.82 g/mol
LogP3.76
Rot. Bonds4

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide (PubChem CID 25148688) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide
PubChem CID25148688
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3Cl)cc(=O)oc12
InChIInChI=1S/C20H17ClN2O3/c1-12-7-8-13(2)20-19(12)15(10-18(25)26-20)9-17(24)23-22-11-14-5-3-4-6-16(14)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)/b22-11+
InChIKeyCUDBXJOAULIOOA-SSDVNMTOSA-N
XLogP3.76
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.76
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'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-oxochromen-4-yl)acetamide
CID 135951834
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide (CID 25148688) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide is Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3Cl)cc(=O)oc12.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide?
The InChIKey is CUDBXJOAULIOOA-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-7-8-13(2)20-19(12)15(10-18(25)26-20)9-17(24)23-22-11-14-5-3-4-6-16(14)21/h3-8,10-11H,9H2,1-2H3,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide has a molecular weight of 368.82 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5,8-dimethyl-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 25148688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).