N-(2,4-ditert-butyl-6-chlorophenyl)acetamide

C16H24ClNO — CID 12858544

IUPACN-(2,4-ditert-butyl-6-chlorophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C16H24ClNO/c1-10(19)18-14-12(16(5,6)7)8-11(9-13(14)17)15(2,3)4/h8-9H,1-7H3,(H,18,19)
InChIKeyATBUNHBHRQQARY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.89
Rot. Bonds1

About N-(2,4-ditert-butyl-6-chlorophenyl)acetamide

N-(2,4-ditert-butyl-6-chlorophenyl)acetamide (PubChem CID 12858544) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(2,4-ditert-butyl-6-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-ditert-butyl-6-chlorophenyl)acetamide
PubChem CID12858544
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(2,4-ditert-butyl-6-chlorophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C16H24ClNO/c1-10(19)18-14-12(16(5,6)7)8-11(9-13(14)17)15(2,3)4/h8-9H,1-7H3,(H,18,19)
InChIKeyATBUNHBHRQQARY-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
N-(4-tert-butyl-2,6-diethylphenyl)acetamide
CID 517593
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
CID 151119014
N-[2-chloro-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]acetamide
CID 56648954
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
N-bis(2,4,6-tritert-butylanilino)gallanyl-2,4,6-tritert-butylaniline
CID 16709454
N-(4-tert-butyl-2,3-dichlorophenyl)acetamide
CID 23531002
N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide
CID 23242570
N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245

Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butyl-6-chlorophenyl)acetamide?
The IUPAC name of N-(2,4-ditert-butyl-6-chlorophenyl)acetamide (CID 12858544) is N-(2,4-ditert-butyl-6-chlorophenyl)acetamide.
What is the SMILES notation for N-(2,4-ditert-butyl-6-chlorophenyl)acetamide?
The canonical SMILES for N-(2,4-ditert-butyl-6-chlorophenyl)acetamide is CC(=O)Nc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-(2,4-ditert-butyl-6-chlorophenyl)acetamide?
The InChIKey is ATBUNHBHRQQARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-10(19)18-14-12(16(5,6)7)8-11(9-13(14)17)15(2,3)4/h8-9H,1-7H3,(H,18,19).
What are the key properties of N-(2,4-ditert-butyl-6-chlorophenyl)acetamide?
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide has a molecular weight of 281.83 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butyl-6-chlorophenyl)acetamide is sourced from PubChem (CID 12858544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).