2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H12Cl2N2O — CID 79689600

IUPAC2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-7-1-2-10(13)9(5-7)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m0/s1
InChIKeyHJHWRKOXHVIRHJ-QMMMGPOBSA-N
MW259.14 g/mol
LogP2.09
Rot. Bonds2

About 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide

2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 79689600) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID79689600
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-7-1-2-10(13)9(5-7)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m0/s1
InChIKeyHJHWRKOXHVIRHJ-QMMMGPOBSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
CID 119449786
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 79689600) is 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is HJHWRKOXHVIRHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-7-1-2-10(13)9(5-7)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide?
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 259.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79689600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).