N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid

C19H27Cl2NO4 — CID 22076151

IUPACN-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid
SMILESCC(C)(C)C1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1.O=C(O)O
InChIInChI=1S/C18H25Cl2NO.CH2O3/c1-18(2,3)12-7-9-13(10-8-12)21-17(22)11-14-15(19)5-4-6-16(14)20;2-1(3)4/h4-6,12-13H,7-11H2,1-3H3,(H,21,22);(H2,2,3,4)
InChIKeySNNRVNWVNHBEMC-UHFFFAOYSA-N
MW404.33 g/mol
LogP5.48
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid

N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid (PubChem CID 22076151) has the molecular formula C19H27Cl2NO4 and a molecular weight of 404.33 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid
PubChem CID22076151
Molecular FormulaC19H27Cl2NO4
Molecular Weight404.33 g/mol
Exact Mass403.13
IUPAC NameN-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid
SMILESCC(C)(C)C1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1.O=C(O)O
InChIInChI=1S/C18H25Cl2NO.CH2O3/c1-18(2,3)12-7-9-13(10-8-12)21-17(22)11-14-15(19)5-4-6-16(14)20;2-1(3)4/h4-6,12-13H,7-11H2,1-3H3,(H,21,22);(H2,2,3,4)
InChIKeySNNRVNWVNHBEMC-UHFFFAOYSA-N
XLogP5.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.33
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-(2,6-dichlorophenyl)-N-(4-ethylcyclohexyl)acetamide
CID 22076137
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid (CID 22076151) is N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid is CC(C)(C)C1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1.O=C(O)O.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid?
The InChIKey is SNNRVNWVNHBEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2NO.CH2O3/c1-18(2,3)12-7-9-13(10-8-12)21-17(22)11-14-15(19)5-4-6-16(14)20;2-1(3)4/h4-6,12-13H,7-11H2,1-3H3,(H,21,22);(H2,2,3,4).
What are the key properties of N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid?
N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid has a molecular weight of 404.33 g/mol, XLogP of 5.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-(2,6-dichlorophenyl)acetamide;carbonic acid is sourced from PubChem (CID 22076151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).