2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide

C21H25ClN2O3 — CID 113172867

IUPAC2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)(C)C)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-14(25)24(18-12-15(22)10-11-19(18)27-5)13-20(26)23-17-9-7-6-8-16(17)21(2,3)4/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyDHHROBDJOBZNQZ-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.64
Rot. Bonds5

About 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide

2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide (PubChem CID 113172867) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
PubChem CID113172867
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)(C)C)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-14(25)24(18-12-15(22)10-11-19(18)27-5)13-20(26)23-17-9-7-6-8-16(17)21(2,3)4/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyDHHROBDJOBZNQZ-UHFFFAOYSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide
CID 113179625
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,6-diethylphenyl)acetamide
CID 113172865
methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176142
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113174648
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172580
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113181324
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide (CID 113172867) is 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)(C)C)C(C)=O.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide?
The InChIKey is DHHROBDJOBZNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(25)24(18-12-15(22)10-11-19(18)27-5)13-20(26)23-17-9-7-6-8-16(17)21(2,3)4/h6-12H,13H2,1-5H3,(H,23,26).
What are the key properties of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide?
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide is sourced from PubChem (CID 113172867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).