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

C16H20Cl2N2O — CID 142774998

IUPAC3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(Cl)c(Cl)c1CCC1CC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-6-5-13(16(21)20-11-7-8-19-9-11)12(15(14)18)4-3-10-1-2-10/h5-6,10-11,19H,1-4,7-9H2,(H,20,21)
InChIKeyQHQXYWVZTFOFNT-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.43
Rot. Bonds5

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

3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 142774998) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID142774998
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(Cl)c(Cl)c1CCC1CC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-6-5-13(16(21)20-11-7-8-19-9-11)12(15(14)18)4-3-10-1-2-10/h5-6,10-11,19H,1-4,7-9H2,(H,20,21)
InChIKeyQHQXYWVZTFOFNT-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide (CID 142774998) is 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1ccc(Cl)c(Cl)c1CCC1CC1.
What is the InChIKey of 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is QHQXYWVZTFOFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-14-6-5-13(16(21)20-11-7-8-19-9-11)12(15(14)18)4-3-10-1-2-10/h5-6,10-11,19H,1-4,7-9H2,(H,20,21).
What are the key properties of 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide?
3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 327.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 142774998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).