N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide

C24H26Cl2N4O — CID 45279218

IUPACN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2)cc1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H26Cl2N4O/c1-17-19(16-21(28-17)18-6-3-2-4-7-18)24(31)27-10-11-29-12-14-30(15-13-29)22-9-5-8-20(25)23(22)26/h2-9,16,28H,10-15H2,1H3,(H,27,31)
InChIKeyRADDITPPNPJVNF-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.85
Rot. Bonds6

About N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 45279218) has the molecular formula C24H26Cl2N4O and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
PubChem CID45279218
Molecular FormulaC24H26Cl2N4O
Molecular Weight457.41 g/mol
Exact Mass456.15
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2)cc1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H26Cl2N4O/c1-17-19(16-21(28-17)18-6-3-2-4-7-18)24(31)27-10-11-29-12-14-30(15-13-29)22-9-5-8-20(25)23(22)26/h2-9,16,28H,10-15H2,1H3,(H,27,31)
InChIKeyRADDITPPNPJVNF-UHFFFAOYSA-N
XLogP4.85
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide
CID 9826580
PG-01037
CID 11477180
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10456166
6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10479822
(3,4-Dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10550047
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-1H-indole-2-carboxamide
CID 42626103
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-4-pyridin-3-yl-benzamide
CID 11375068
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-4-pyridin-3-yl-benzamide
CID 11443078
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-5-fluoro-1H-indole-2-carboxamide
CID 44309876
N-(2-(4-(2,3-dichlorophenyl)piperazin-1-ylmethyl)-trans-cyclopropylmethyl)-4-pyridin-2-ylbenzamide
CID 44427841
3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 127047061

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide (CID 45279218) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2)cc1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is RADDITPPNPJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O/c1-17-19(16-21(28-17)18-6-3-2-4-7-18)24(31)27-10-11-29-12-14-30(15-13-29)22-9-5-8-20(25)23(22)26/h2-9,16,28H,10-15H2,1H3,(H,27,31).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 45279218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).