4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide

C18H19ClN2O5 — CID 27258608

IUPAC4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
SMILESCOc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19ClN2O5/c1-24-14-8-13(9-15(25-2)17(14)26-3)21-16(22)10-20-18(23)11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLZPXITIAUKACLE-UHFFFAOYSA-N
MW378.81 g/mol
LogP2.73
Rot. Bonds7

About 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide

4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide (PubChem CID 27258608) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
PubChem CID27258608
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
SMILESCOc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19ClN2O5/c1-24-14-8-13(9-15(25-2)17(14)26-3)21-16(22)10-20-18(23)11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLZPXITIAUKACLE-UHFFFAOYSA-N
XLogP2.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
CID 27253344
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16598693
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide (CID 27258608) is 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide is COc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide?
The InChIKey is LZPXITIAUKACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-24-14-8-13(9-15(25-2)17(14)26-3)21-16(22)10-20-18(23)11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide?
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide has a molecular weight of 378.81 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide is sourced from PubChem (CID 27258608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).