N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide

C18H20ClNO — CID 59659873

IUPACN-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO/c1-18(2,3)20-17(21)12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyUCEPUUROOSBKQB-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.46
Rot. Bonds3

About N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide

N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide (PubChem CID 59659873) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
PubChem CID59659873
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO/c1-18(2,3)20-17(21)12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyUCEPUUROOSBKQB-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
CID 15457246
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62520281
2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 4303275
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
N-tert-butyl-2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111130902
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520904
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
CID 134589022
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide (CID 59659873) is N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide is CC(C)(C)NC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide?
The InChIKey is UCEPUUROOSBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(2,3)20-17(21)12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide?
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide has a molecular weight of 301.82 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide is sourced from PubChem (CID 59659873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).