3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide

C12H16ClNO5 — CID 79676765

IUPAC3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C12H16ClNO5/c1-16-4-5-19-14-12(15)8-6-9(13)11(18-3)10(7-8)17-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMRASPKOJSFKELY-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.66
Rot. Bonds7

About 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide

3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide (PubChem CID 79676765) has the molecular formula C12H16ClNO5 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
PubChem CID79676765
Molecular FormulaC12H16ClNO5
Molecular Weight289.72 g/mol
Exact Mass289.07
IUPAC Name3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C12H16ClNO5/c1-16-4-5-19-14-12(15)8-6-9(13)11(18-3)10(7-8)17-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMRASPKOJSFKELY-UHFFFAOYSA-N
XLogP1.66
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid
CID 63912530
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide (CID 79676765) is 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide is COCCONC(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide?
The InChIKey is MRASPKOJSFKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5/c1-16-4-5-19-14-12(15)8-6-9(13)11(18-3)10(7-8)17-2/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide?
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide has a molecular weight of 289.72 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 79676765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).