2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide

C19H21ClN2O4 — CID 78868092

IUPAC2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(OC)c(CC(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-14-7-8-17(26-2)13(11-14)12-18(23)21-9-10-22-19(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJYYNIIDSOZVAFT-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.45
Rot. Bonds8

About 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide (PubChem CID 78868092) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
PubChem CID78868092
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(OC)c(CC(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-14-7-8-17(26-2)13(11-14)12-18(23)21-9-10-22-19(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJYYNIIDSOZVAFT-UHFFFAOYSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]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-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78878862
2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
CID 110407843
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide (CID 78868092) is 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide is COc1ccc(OC)c(CC(=O)NCCNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide?
The InChIKey is JYYNIIDSOZVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-14-7-8-17(26-2)13(11-14)12-18(23)21-9-10-22-19(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 78868092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).