4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide

C24H27ClN2O2 — CID 161465449

IUPAC4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCn1c(C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)ccc1-c1ccccc1Cl
InChIInChI=1S/C24H27ClN2O2/c1-27-20(17-4-2-3-5-19(17)25)6-7-21(27)22(28)10-18-15-8-14-9-16(18)13-24(11-14,12-15)23(26)29/h2-7,14-16,18H,8-13H2,1H3,(H2,26,29)
InChIKeyWCJFQPJUQFQPDO-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.85
Rot. Bonds5

About 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide

4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 161465449) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID161465449
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCn1c(C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)ccc1-c1ccccc1Cl
InChIInChI=1S/C24H27ClN2O2/c1-27-20(17-4-2-3-5-19(17)25)6-7-21(27)22(28)10-18-15-8-14-9-16(18)13-24(11-14,12-15)23(26)29/h2-7,14-16,18H,8-13H2,1H3,(H2,26,29)
InChIKeyWCJFQPJUQFQPDO-UHFFFAOYSA-N
XLogP4.85
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide (CID 161465449) is 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide is Cn1c(C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)ccc1-c1ccccc1Cl.
What is the InChIKey of 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is WCJFQPJUQFQPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-27-20(17-4-2-3-5-19(17)25)6-7-21(27)22(28)10-18-15-8-14-9-16(18)13-24(11-14,12-15)23(26)29/h2-7,14-16,18H,8-13H2,1H3,(H2,26,29).
What are the key properties of 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide?
4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-chlorophenyl)-1-methylpyrrol-2-yl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 161465449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).