N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide

C19H21ClN2O5 — CID 55878270

IUPACN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1Cl
InChIInChI=1S/C19H21ClN2O5/c1-25-10-9-21-18(23)13-8-7-12(11-15(13)20)22-19(24)14-5-4-6-16(26-2)17(14)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMSMOMLDVYSOBQI-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.99
Rot. Bonds8

About N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide

N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide (PubChem CID 55878270) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
PubChem CID55878270
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1Cl
InChIInChI=1S/C19H21ClN2O5/c1-25-10-9-21-18(23)13-8-7-12(11-15(13)20)22-19(24)14-5-4-6-16(26-2)17(14)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMSMOMLDVYSOBQI-UHFFFAOYSA-N
XLogP2.99
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 60532900
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877380
5-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138511
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
2-chloro-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877500
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide (CID 55878270) is N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide is COCCNC(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is MSMOMLDVYSOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-25-10-9-21-18(23)13-8-7-12(11-15(13)20)22-19(24)14-5-4-6-16(26-2)17(14)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide?
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 392.84 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 55878270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).