2,3-dimethoxybenzamide;hydrate

C9H13NO4 — CID 141005510

IUPAC2,3-dimethoxybenzamide;hydrate
SMILESCOc1cccc(C(N)=O)c1OC.O
InChIInChI=1S/C9H11NO3.H2O/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;/h3-5H,1-2H3,(H2,10,11);1H2
InChIKeyWYAAOVQKFXNLDD-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.02
Rot. Bonds3

About 2,3-dimethoxybenzamide;hydrate

2,3-dimethoxybenzamide;hydrate (PubChem CID 141005510) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,3-dimethoxybenzamide;hydrate.

Molecular Properties

Compound Name2,3-dimethoxybenzamide;hydrate
PubChem CID141005510
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2,3-dimethoxybenzamide;hydrate
SMILESCOc1cccc(C(N)=O)c1OC.O
InChIInChI=1S/C9H11NO3.H2O/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;/h3-5H,1-2H3,(H2,10,11);1H2
InChIKeyWYAAOVQKFXNLDD-UHFFFAOYSA-N
XLogP-0.02
TPSA93.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 61120213
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
CID 47066495
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213
2-methoxy-3-methylsulfonylbenzamide
CID 70437297
2-ethenyl-3-methoxybenzamide
CID 177056846
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 62092430
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzamide;hydrate?
The IUPAC name of 2,3-dimethoxybenzamide;hydrate (CID 141005510) is 2,3-dimethoxybenzamide;hydrate.
What is the SMILES notation for 2,3-dimethoxybenzamide;hydrate?
The canonical SMILES for 2,3-dimethoxybenzamide;hydrate is COc1cccc(C(N)=O)c1OC.O.
What is the InChIKey of 2,3-dimethoxybenzamide;hydrate?
The InChIKey is WYAAOVQKFXNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.H2O/c1-12-7-5-3-4-6(9(10)11)8(7)13-2;/h3-5H,1-2H3,(H2,10,11);1H2.
What are the key properties of 2,3-dimethoxybenzamide;hydrate?
2,3-dimethoxybenzamide;hydrate has a molecular weight of 199.21 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzamide;hydrate is sourced from PubChem (CID 141005510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).