3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide

C22H32ClN3O — CID 66883225

IUPAC3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1CC(C)C
InChIInChI=1S/C22H32ClN3O/c1-6-25(7-2)13-12-24-22(27)21-20(18-8-10-19(23)11-9-18)17(5)15-26(21)14-16(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,24,27)
InChIKeyOIXAKCIVMNNLEW-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.84
Rot. Bonds9

About 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide

3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide (PubChem CID 66883225) has the molecular formula C22H32ClN3O and a molecular weight of 389.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide
PubChem CID66883225
Molecular FormulaC22H32ClN3O
Molecular Weight389.97 g/mol
Exact Mass389.22
IUPAC Name3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1CC(C)C
InChIInChI=1S/C22H32ClN3O/c1-6-25(7-2)13-12-24-22(27)21-20(18-8-10-19(23)11-9-18)17(5)15-26(21)14-16(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,24,27)
InChIKeyOIXAKCIVMNNLEW-UHFFFAOYSA-N
XLogP4.84
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide (CID 66883225) is 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide is CCN(CC)CCNC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1CC(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide?
The InChIKey is OIXAKCIVMNNLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O/c1-6-25(7-2)13-12-24-22(27)21-20(18-8-10-19(23)11-9-18)17(5)15-26(21)14-16(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide?
3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide has a molecular weight of 389.97 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1-(2-methylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 66883225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).