2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide

C17H24Cl2N2O — CID 11450731

IUPAC2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
SMILESCCC(CC)CN(C(=O)c1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C17H24Cl2N2O/c1-3-12(4-2)11-21(14-7-8-20-10-14)17(22)15-6-5-13(18)9-16(15)19/h5-6,9,12,14,20H,3-4,7-8,10-11H2,1-2H3
InChIKeyGOECCNKDOKBGOI-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.23
Rot. Bonds6

About 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide

2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 11450731) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID11450731
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
SMILESCCC(CC)CN(C(=O)c1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C17H24Cl2N2O/c1-3-12(4-2)11-21(14-7-8-20-10-14)17(22)15-6-5-13(18)9-16(15)19/h5-6,9,12,14,20H,3-4,7-8,10-11H2,1-2H3
InChIKeyGOECCNKDOKBGOI-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
CID 11347993
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide (CID 11450731) is 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide is CCC(CC)CN(C(=O)c1ccc(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is GOECCNKDOKBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-3-12(4-2)11-21(14-7-8-20-10-14)17(22)15-6-5-13(18)9-16(15)19/h5-6,9,12,14,20H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide?
2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 343.30 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 11450731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).