2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C19H21Cl2NO4 — CID 166424223

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cc(OC)c1OC
InChIInChI=1S/C19H21Cl2NO4/c1-24-16-8-14(9-17(25-2)19(16)26-3)12-22(18(23)10-20)11-13-4-6-15(21)7-5-13/h4-9H,10-12H2,1-3H3
InChIKeyDPMMNECVPBQGHF-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.13
Rot. Bonds8

About 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 166424223) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID166424223
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cc(OC)c1OC
InChIInChI=1S/C19H21Cl2NO4/c1-24-16-8-14(9-17(25-2)19(16)26-3)12-22(18(23)10-20)11-13-4-6-15(21)7-5-13/h4-9H,10-12H2,1-3H3
InChIKeyDPMMNECVPBQGHF-UHFFFAOYSA-N
XLogP4.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 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-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
CID 166406350
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
CID 87545769
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
(3S)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100783355
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 166424223) is 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cc(OC)c1OC.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is DPMMNECVPBQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO4/c1-24-16-8-14(9-17(25-2)19(16)26-3)12-22(18(23)10-20)11-13-4-6-15(21)7-5-13/h4-9H,10-12H2,1-3H3.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 398.29 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 166424223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).