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

C16H20Cl2N2O — CID 23582127

IUPAC2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
InChIKeyMPGDFMOXIHFZSL-LBPRGKRZSA-N
MW327.25 g/mol
LogP3.74
Rot. Bonds3

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

2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 23582127) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID23582127
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
InChIKeyMPGDFMOXIHFZSL-LBPRGKRZSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 23582127) is 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1.
What is the InChIKey of 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is MPGDFMOXIHFZSL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1.
What are the key properties of 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 327.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 23582127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).