(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride

C18H26Cl2N2O2 — CID 28273

IUPAC(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
SMILESCc1cccc(Cl)c1NC(=O)OC1CCCCC1[NH+]1CCCC1.[Cl-]
InChIInChI=1S/C18H25ClN2O2.ClH/c1-13-7-6-8-14(19)17(13)20-18(22)23-16-10-3-2-9-15(16)21-11-4-5-12-21;/h6-8,15-16H,2-5,9-12H2,1H3,(H,20,22);1H
InChIKeyNYVIKTJETCWIMY-UHFFFAOYSA-N
MW373.32 g/mol
LogP0.19
Rot. Bonds3

About (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride

(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride (PubChem CID 28273) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride.

Molecular Properties

Compound Name(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
PubChem CID28273
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
SMILESCc1cccc(Cl)c1NC(=O)OC1CCCCC1[NH+]1CCCC1.[Cl-]
InChIInChI=1S/C18H25ClN2O2.ClH/c1-13-7-6-8-14(19)17(13)20-18(22)23-16-10-3-2-9-15(16)21-11-4-5-12-21;/h6-8,15-16H,2-5,9-12H2,1H3,(H,20,22);1H
InChIKeyNYVIKTJETCWIMY-UHFFFAOYSA-N
XLogP0.19
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
The IUPAC name of (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride (CID 28273) is (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride.
What is the SMILES notation for (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
The canonical SMILES for (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride is Cc1cccc(Cl)c1NC(=O)OC1CCCCC1[NH+]1CCCC1.[Cl-].
What is the InChIKey of (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
The InChIKey is NYVIKTJETCWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.ClH/c1-13-7-6-8-14(19)17(13)20-18(22)23-16-10-3-2-9-15(16)21-11-4-5-12-21;/h6-8,15-16H,2-5,9-12H2,1H3,(H,20,22);1H.
What are the key properties of (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride has a molecular weight of 373.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride is sourced from PubChem (CID 28273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).