3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide

C18H24Cl2N2O — CID 70426512

IUPAC3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C18H24Cl2N2O/c1-21(17(23)14-7-8-15(19)16(20)13-14)18(9-3-2-4-10-18)22-11-5-6-12-22/h7-8,13H,2-6,9-12H2,1H3
InChIKeyFECHSZBDIPMKBP-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.82
Rot. Bonds3

About 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide

3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide (PubChem CID 70426512) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide
PubChem CID70426512
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C18H24Cl2N2O/c1-21(17(23)14-7-8-15(19)16(20)13-14)18(9-3-2-4-10-18)22-11-5-6-12-22/h7-8,13H,2-6,9-12H2,1H3
InChIKeyFECHSZBDIPMKBP-UHFFFAOYSA-N
XLogP4.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide?
The IUPAC name of 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide (CID 70426512) is 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide is CN(C(=O)c1ccc(Cl)c(Cl)c1)C1(N2CCCC2)CCCCC1.
What is the InChIKey of 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide?
The InChIKey is FECHSZBDIPMKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-21(17(23)14-7-8-15(19)16(20)13-14)18(9-3-2-4-10-18)22-11-5-6-12-22/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide?
3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide has a molecular weight of 355.31 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide is sourced from PubChem (CID 70426512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).