2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C14H18Cl2N2O — CID 110753573

IUPAC2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-17(8-9-18-6-2-3-7-18)14(19)12-5-4-11(15)10-13(12)16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyQBJDCGSZKFXEQD-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.16
Rot. Bonds4

About 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 110753573) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID110753573
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-17(8-9-18-6-2-3-7-18)14(19)12-5-4-11(15)10-13(12)16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyQBJDCGSZKFXEQD-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511
2-chloro-N-methyl-5-[methyl(propan-2-yl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510508
2-fluoro-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207742
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 110753573) is 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(CCN1CCCC1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is QBJDCGSZKFXEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-17(8-9-18-6-2-3-7-18)14(19)12-5-4-11(15)10-13(12)16/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 301.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 110753573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).