2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide

C24H33ClN2O — CID 20776193

IUPAC2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide
SMILESCN(C)CCCc1ccc(Cl)c(C(=O)NCC23CC4CC5CC(C2)C5(C4)C3)c1
InChIInChI=1S/C24H33ClN2O/c1-27(2)7-3-4-16-5-6-21(25)20(9-16)22(28)26-15-23-11-17-8-18-10-19(13-23)24(18,12-17)14-23/h5-6,9,17-19H,3-4,7-8,10-15H2,1-2H3,(H,26,28)
InChIKeyKBPVJMQOWPKSLR-UHFFFAOYSA-N
MW400.99 g/mol
LogP4.78
Rot. Bonds7

About 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide

2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide (PubChem CID 20776193) has the molecular formula C24H33ClN2O and a molecular weight of 400.99 g/mol. Its IUPAC name is 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide
PubChem CID20776193
Molecular FormulaC24H33ClN2O
Molecular Weight400.99 g/mol
Exact Mass400.23
IUPAC Name2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide
SMILESCN(C)CCCc1ccc(Cl)c(C(=O)NCC23CC4CC5CC(C2)C5(C4)C3)c1
InChIInChI=1S/C24H33ClN2O/c1-27(2)7-3-4-16-5-6-21(25)20(9-16)22(28)26-15-23-11-17-8-18-10-19(13-23)24(18,12-17)14-23/h5-6,9,17-19H,3-4,7-8,10-15H2,1-2H3,(H,26,28)
InChIKeyKBPVJMQOWPKSLR-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.99
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide?
The IUPAC name of 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide (CID 20776193) is 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide is CN(C)CCCc1ccc(Cl)c(C(=O)NCC23CC4CC5CC(C2)C5(C4)C3)c1.
What is the InChIKey of 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide?
The InChIKey is KBPVJMQOWPKSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O/c1-27(2)7-3-4-16-5-6-21(25)20(9-16)22(28)26-15-23-11-17-8-18-10-19(13-23)24(18,12-17)14-23/h5-6,9,17-19H,3-4,7-8,10-15H2,1-2H3,(H,26,28).
What are the key properties of 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide?
2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide has a molecular weight of 400.99 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(dimethylamino)propyl]-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)benzamide is sourced from PubChem (CID 20776193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).