N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide

C17H18Cl2N2O4 — CID 42026868

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4/c1-23-14-5-4-10(6-11(14)18)20-9-17(22)21-13-8-15(24-2)12(19)7-16(13)25-3/h4-8,20H,9H2,1-3H3,(H,21,22)
InChIKeyKLYMBYTUZUBFPP-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.07
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide (PubChem CID 42026868) has the molecular formula C17H18Cl2N2O4 and a molecular weight of 385.25 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
PubChem CID42026868
Molecular FormulaC17H18Cl2N2O4
Molecular Weight385.25 g/mol
Exact Mass384.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4/c1-23-14-5-4-10(6-11(14)18)20-9-17(22)21-13-8-15(24-2)12(19)7-16(13)25-3/h4-8,20H,9H2,1-3H3,(H,21,22)
InChIKeyKLYMBYTUZUBFPP-UHFFFAOYSA-N
XLogP4.07
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)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

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide (CID 42026868) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide?
The InChIKey is KLYMBYTUZUBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4/c1-23-14-5-4-10(6-11(14)18)20-9-17(22)21-13-8-15(24-2)12(19)7-16(13)25-3/h4-8,20H,9H2,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide has a molecular weight of 385.25 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide is sourced from PubChem (CID 42026868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).