N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide

C18H16Cl2N2O2 — CID 109044377

IUPACN-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-4-3-5-15(20)16(14)21-17(23)12-6-8-13(9-7-12)18(24)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,21,23)
InChIKeyJELFDLBSDINWSB-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.48
Rot. Bonds3

About N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide

N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044377) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044377
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-4-3-5-15(20)16(14)21-17(23)12-6-8-13(9-7-12)18(24)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,21,23)
InChIKeyJELFDLBSDINWSB-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044378
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109099941
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044377) is N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide is O=C(Nc1c(Cl)cccc1Cl)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is JELFDLBSDINWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-4-3-5-15(20)16(14)21-17(23)12-6-8-13(9-7-12)18(24)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,21,23).
What are the key properties of N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 363.24 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).