(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate

C17H23Cl2NO2 — CID 43835253

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H23Cl2NO2/c1-10(2)13-6-4-11(3)8-16(13)22-17(21)20-12-5-7-14(18)15(19)9-12/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21)
InChIKeySVARYGKGRMWTLF-UHFFFAOYSA-N
MW344.28 g/mol
LogP6.00
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate (PubChem CID 43835253) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate
PubChem CID43835253
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H23Cl2NO2/c1-10(2)13-6-4-11(3)8-16(13)22-17(21)20-12-5-7-14(18)15(19)9-12/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21)
InChIKeySVARYGKGRMWTLF-UHFFFAOYSA-N
XLogP6.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) N-(4-chlorophenyl)carbamate
CID 18370052
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(3,4-dichlorophenyl)-7-hydroxyheptanoate
CID 147937519
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66761959
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-acetamidobenzoate
CID 25402370
[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 25421262
bis[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynedioate
CID 11868487
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7442783
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate (CID 43835253) is (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate is CC1CCC(C(C)C)C(OC(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate?
The InChIKey is SVARYGKGRMWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-10(2)13-6-4-11(3)8-16(13)22-17(21)20-12-5-7-14(18)15(19)9-12/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate has a molecular weight of 344.28 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 43835253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).