2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C16H20Cl2N2O — CID 46883498

IUPAC2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1
InChIKeyGZAWVIWERRSMCS-LBPRGKRZSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds5

About 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 46883498) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID46883498
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1
InChIKeyGZAWVIWERRSMCS-LBPRGKRZSA-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

2,4-dichloro-N-(2-cyclopropylethyl)-N-pyrrolidin-3-ylbenzamide
CID 11347993
N-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11588392
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
CID 11162642
3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60806852
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 119530695
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 119553991

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 46883498) is 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1.
What is the InChIKey of 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is GZAWVIWERRSMCS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1.
What are the key properties of 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide 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 2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 46883498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).