3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine

C18H27ClN2O — CID 143582754

IUPAC3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
SMILESC1CCNC1.Cc1c(Cl)cccc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H18ClNO.C4H9N/c1-10-12(8-5-9-13(10)15)14(17)16-11-6-3-2-4-7-11;1-2-4-5-3-1/h5,8-9,11H,2-4,6-7H2,1H3,(H,16,17);5H,1-4H2
InChIKeyDNPNGEQDFYBSGA-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.08
Rot. Bonds2

About 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine

3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine (PubChem CID 143582754) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
PubChem CID143582754
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
SMILESC1CCNC1.Cc1c(Cl)cccc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H18ClNO.C4H9N/c1-10-12(8-5-9-13(10)15)14(17)16-11-6-3-2-4-7-11;1-2-4-5-3-1/h5,8-9,11H,2-4,6-7H2,1H3,(H,16,17);5H,1-4H2
InChIKeyDNPNGEQDFYBSGA-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
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3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine?
The IUPAC name of 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine (CID 143582754) is 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine.
What is the SMILES notation for 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine?
The canonical SMILES for 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine is C1CCNC1.Cc1c(Cl)cccc1C(=O)NC1CCCCC1.
What is the InChIKey of 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine?
The InChIKey is DNPNGEQDFYBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO.C4H9N/c1-10-12(8-5-9-13(10)15)14(17)16-11-6-3-2-4-7-11;1-2-4-5-3-1/h5,8-9,11H,2-4,6-7H2,1H3,(H,16,17);5H,1-4H2.
What are the key properties of 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine?
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine has a molecular weight of 322.88 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine is sourced from PubChem (CID 143582754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).