N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide

C15H21ClN2O3 — CID 86860337

IUPACN-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CC(C)(C)C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)8-13(19)17-9-14(20)18-12-6-5-10(21-4)7-11(12)16/h5-7H,8-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMGKBTURQDJSQBW-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 86860337) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID86860337
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CC(C)(C)C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)8-13(19)17-9-14(20)18-12-6-5-10(21-4)7-11(12)16/h5-7H,8-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyMGKBTURQDJSQBW-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide 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

tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
CID 86862773
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide (CID 86860337) is N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide is COc1ccc(NC(=O)CNC(=O)CC(C)(C)C)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is MGKBTURQDJSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,3)8-13(19)17-9-14(20)18-12-6-5-10(21-4)7-11(12)16/h5-7H,8-9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 312.80 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 86860337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).