(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide

C17H13ClN2O4 — CID 5403929

IUPAC(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)/c(=N\O)oc12
InChIInChI=1S/C17H13ClN2O4/c1-23-14-4-2-3-10-9-13(17(20-22)24-15(10)14)16(21)19-12-7-5-11(18)6-8-12/h2-9,22H,1H3,(H,19,21)/b20-17+
InChIKeyMNJYWACUGOEVCL-LVZFUZTISA-N
MW344.75 g/mol
LogP3.64
Rot. Bonds3

About (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide

(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide (PubChem CID 5403929) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
PubChem CID5403929
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)/c(=N\O)oc12
InChIInChI=1S/C17H13ClN2O4/c1-23-14-4-2-3-10-9-13(17(20-22)24-15(10)14)16(21)19-12-7-5-11(18)6-8-12/h2-9,22H,1H3,(H,19,21)/b20-17+
InChIKeyMNJYWACUGOEVCL-LVZFUZTISA-N
XLogP3.64
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
CID 6893577
[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate
CID 53338143
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367152
2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367169
2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367154
2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
CID 39844710
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
(2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 46496373

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide?
The IUPAC name of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide (CID 5403929) is (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide?
The canonical SMILES for (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)/c(=N\O)oc12.
What is the InChIKey of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide?
The InChIKey is MNJYWACUGOEVCL-LVZFUZTISA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-23-14-4-2-3-10-9-13(17(20-22)24-15(10)14)16(21)19-12-7-5-11(18)6-8-12/h2-9,22H,1H3,(H,19,21)/b20-17+.
What are the key properties of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide?
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide has a molecular weight of 344.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 5403929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).