2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide

C17H14N2O3 — CID 172944477

IUPAC2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C1/C(=O)Cc2ccccc21
InChIInChI=1S/C17H14N2O3/c1-22-15-9-5-4-8-13(15)17(21)19-18-16-12-7-3-2-6-11(12)10-14(16)20/h2-9H,10H2,1H3,(H,19,21)/b18-16+
InChIKeyKMPHDAPGHCMJBV-FBMGVBCBSA-N
MW294.31 g/mol
LogP1.95
Rot. Bonds3

About 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide

2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide (PubChem CID 172944477) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide
PubChem CID172944477
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C1/C(=O)Cc2ccccc21
InChIInChI=1S/C17H14N2O3/c1-22-15-9-5-4-8-13(15)17(21)19-18-16-12-7-3-2-6-11(12)10-14(16)20/h2-9H,10H2,1H3,(H,19,21)/b18-16+
InChIKeyKMPHDAPGHCMJBV-FBMGVBCBSA-N
XLogP1.95
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
CID 98289762
2-methoxybenzohydrazide
CID 24051
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
ethane;methyl 2-methoxybenzoate
CID 178037044
3-fluoro-N-[2-oxo-2-[(2E)-2-(2-oxo-3H-inden-1-ylidene)hydrazinyl]ethyl]benzamide
CID 123383850
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide (CID 172944477) is 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide is COc1ccccc1C(=O)N/N=C1/C(=O)Cc2ccccc21.
What is the InChIKey of 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide?
The InChIKey is KMPHDAPGHCMJBV-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-15-9-5-4-8-13(15)17(21)19-18-16-12-7-3-2-6-11(12)10-14(16)20/h2-9H,10H2,1H3,(H,19,21)/b18-16+.
What are the key properties of 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide?
2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide is sourced from PubChem (CID 172944477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).