2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide

C17H14N2O3 — CID 4313217

IUPAC2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3oc2=NO)c1
InChIInChI=1S/C17H14N2O3/c1-11-5-4-7-13(9-11)18-16(20)14-10-12-6-2-3-8-15(12)22-17(14)19-21/h2-10,21H,1H3,(H,18,20)
InChIKeyFGZWYZZAVSEUEB-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.28
Rot. Bonds2

About 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide

2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide (PubChem CID 4313217) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
PubChem CID4313217
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3oc2=NO)c1
InChIInChI=1S/C17H14N2O3/c1-11-5-4-7-13(9-11)18-16(20)14-10-12-6-2-3-8-15(12)22-17(14)19-21/h2-10,21H,1H3,(H,18,20)
InChIKeyFGZWYZZAVSEUEB-UHFFFAOYSA-N
XLogP3.28
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 135473864
(2Z)-2-hydroxyiminochromene-3-carboxylic acid
CID 97302642
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide
CID 4673012
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469
(2Z)-6-bromo-N-(2,3-dimethylphenyl)-2-hydroxyiminochromene-3-carboxamide
CID 45146908
N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide (CID 4313217) is 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3oc2=NO)c1.
What is the InChIKey of 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide?
The InChIKey is FGZWYZZAVSEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-5-4-7-13(9-11)18-16(20)14-10-12-6-2-3-8-15(12)22-17(14)19-21/h2-10,21H,1H3,(H,18,20).
What are the key properties of 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide?
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 4313217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).