N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide

C17H12N2O5 — CID 19034298

IUPACN-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=c2c(=O)c3ccccc3c2=O)ccc1O
InChIInChI=1S/C17H12N2O5/c1-24-13-8-9(6-7-12(13)20)17(23)19-18-14-15(21)10-4-2-3-5-11(10)16(14)22/h2-8,20H,1H3,(H,19,23)
InChIKeyHYCWCRMNOPJDLI-UHFFFAOYSA-N
MW324.29 g/mol
LogP0.40
Rot. Bonds3

About N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide

N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide (PubChem CID 19034298) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide
PubChem CID19034298
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC NameN-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=c2c(=O)c3ccccc3c2=O)ccc1O
InChIInChI=1S/C17H12N2O5/c1-24-13-8-9(6-7-12(13)20)17(23)19-18-14-15(21)10-4-2-3-5-11(10)16(14)22/h2-8,20H,1H3,(H,19,23)
InChIKeyHYCWCRMNOPJDLI-UHFFFAOYSA-N
XLogP0.40
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
4-hydroxy-3-methoxy-N-[1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 24818435
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide (CID 19034298) is N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)NN=c2c(=O)c3ccccc3c2=O)ccc1O.
What is the InChIKey of N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide?
The InChIKey is HYCWCRMNOPJDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c1-24-13-8-9(6-7-12(13)20)17(23)19-18-14-15(21)10-4-2-3-5-11(10)16(14)22/h2-8,20H,1H3,(H,19,23).
What are the key properties of N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide?
N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide has a molecular weight of 324.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 19034298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).