N-(4-tert-butyl-2,3-dichlorophenyl)acetamide

C12H15Cl2NO — CID 23531002

IUPACN-(4-tert-butyl-2,3-dichlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)(C)C)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-7(16)15-9-6-5-8(12(2,3)4)10(13)11(9)14/h5-6H,1-4H3,(H,15,16)
InChIKeyFUKDDZHISCIIGO-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.25
Rot. Bonds1

About N-(4-tert-butyl-2,3-dichlorophenyl)acetamide

N-(4-tert-butyl-2,3-dichlorophenyl)acetamide (PubChem CID 23531002) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(4-tert-butyl-2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2,3-dichlorophenyl)acetamide
PubChem CID23531002
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-(4-tert-butyl-2,3-dichlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)(C)C)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-7(16)15-9-6-5-8(12(2,3)4)10(13)11(9)14/h5-6H,1-4H3,(H,15,16)
InChIKeyFUKDDZHISCIIGO-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-tert-butyl-2,3-dichlorophenyl)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-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(2-chloro-3-hydroxy-4-methylphenyl)acetamide
CID 141015549
N-[2,4-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 67828425
N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
CID 151119014
N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane
CID 143730385
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
(2-acetamido-5-tert-butylphenyl)-chloromercury
CID 135052440
4-tert-butyl-2,3-dichlorobenzenethiol
CID 23530910
1-tert-butyl-2,3-dichloro-4-fluorobenzene
CID 155190053
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide
CID 12858544
2-acetamido-5-tert-butylbenzoic acid
CID 42560637

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2,3-dichlorophenyl)acetamide?
The IUPAC name of N-(4-tert-butyl-2,3-dichlorophenyl)acetamide (CID 23531002) is N-(4-tert-butyl-2,3-dichlorophenyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-2,3-dichlorophenyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-2,3-dichlorophenyl)acetamide is CC(=O)Nc1ccc(C(C)(C)C)c(Cl)c1Cl.
What is the InChIKey of N-(4-tert-butyl-2,3-dichlorophenyl)acetamide?
The InChIKey is FUKDDZHISCIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-7(16)15-9-6-5-8(12(2,3)4)10(13)11(9)14/h5-6H,1-4H3,(H,15,16).
What are the key properties of N-(4-tert-butyl-2,3-dichlorophenyl)acetamide?
N-(4-tert-butyl-2,3-dichlorophenyl)acetamide has a molecular weight of 260.16 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 23531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).