3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide

C18H17Cl3N2O4 — CID 108573308

IUPAC3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O4/c1-26-17-14(21)7-6-13(20)16(17)18(25)23-9-8-22-15(24)10-27-12-4-2-11(19)3-5-12/h2-7H,8-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBVSGFGAFXIWFU-UHFFFAOYSA-N
MW431.70 g/mol
LogP3.58
Rot. Bonds8

About 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide

3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide (PubChem CID 108573308) has the molecular formula C18H17Cl3N2O4 and a molecular weight of 431.70 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
PubChem CID108573308
Molecular FormulaC18H17Cl3N2O4
Molecular Weight431.70 g/mol
Exact Mass430.03
IUPAC Name3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O4/c1-26-17-14(21)7-6-13(20)16(17)18(25)23-9-8-22-15(24)10-27-12-4-2-11(19)3-5-12/h2-7H,8-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBVSGFGAFXIWFU-UHFFFAOYSA-N
XLogP3.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.70
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide 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

methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108574475
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 44897735
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
CID 108574925
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide (CID 108573308) is 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
The InChIKey is FBVSGFGAFXIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O4/c1-26-17-14(21)7-6-13(20)16(17)18(25)23-9-8-22-15(24)10-27-12-4-2-11(19)3-5-12/h2-7H,8-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide has a molecular weight of 431.70 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108573308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).