N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide

C18H18Cl2N2O3 — CID 113060301

IUPACN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
SMILESCOc1ccc(Cl)cc1N(CCNC(=O)c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C18H18Cl2N2O3/c1-12(23)22(16-11-15(20)7-8-17(16)25-2)10-9-21-18(24)13-3-5-14(19)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyWJMFKDSDFWQGTR-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide

N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide (PubChem CID 113060301) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
PubChem CID113060301
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
SMILESCOc1ccc(Cl)cc1N(CCNC(=O)c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C18H18Cl2N2O3/c1-12(23)22(16-11-15(20)7-8-17(16)25-2)10-9-21-18(24)13-3-5-14(19)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyWJMFKDSDFWQGTR-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide 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-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113060962
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide (CID 113060301) is N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide is COc1ccc(Cl)cc1N(CCNC(=O)c1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide?
The InChIKey is WJMFKDSDFWQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12(23)22(16-11-15(20)7-8-17(16)25-2)10-9-21-18(24)13-3-5-14(19)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide?
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide has a molecular weight of 381.26 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 113060301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).