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

C16H20Cl2N2O — CID 11347993

IUPAC2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(CCC1CC1)C1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-12-3-4-14(15(18)9-12)16(21)20(8-6-11-1-2-11)13-5-7-19-10-13/h3-4,9,11,13,19H,1-2,5-8,10H2
InChIKeyZSXFONSBYOQYMR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds5

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

2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 11347993) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID11347993
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(CCC1CC1)C1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-12-3-4-14(15(18)9-12)16(21)20(8-6-11-1-2-11)13-5-7-19-10-13/h3-4,9,11,13,19H,1-2,5-8,10H2
InChIKeyZSXFONSBYOQYMR-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 46883498
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2,4-dichloro-N-(2-ethylbutyl)-N-pyrrolidin-3-ylbenzamide
CID 11450731
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide (CID 11347993) is 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide is O=C(c1ccc(Cl)cc1Cl)N(CCC1CC1)C1CCNC1.
What is the InChIKey of 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ZSXFONSBYOQYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-12-3-4-14(15(18)9-12)16(21)20(8-6-11-1-2-11)13-5-7-19-10-13/h3-4,9,11,13,19H,1-2,5-8,10H2.
What are the key properties of 2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 327.25 g/mol, XLogP of 3.60, 5 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-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 11347993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).