2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide

C17H17Cl2N3O — CID 166287246

IUPAC2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccn2)C1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-15-6-3-5-14(16(15)19)17(23)21-13-7-9-22(11-13)10-12-4-1-2-8-20-12/h1-6,8,13H,7,9-11H2,(H,21,23)/t13-/m1/s1
InChIKeyVWXIHYJDLMHLIJ-CYBMUJFWSA-N
MW350.25 g/mol
LogP3.39
Rot. Bonds4

About 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide

2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide (PubChem CID 166287246) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
PubChem CID166287246
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccn2)C1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-15-6-3-5-14(16(15)19)17(23)21-13-7-9-22(11-13)10-12-4-1-2-8-20-12/h1-6,8,13H,7,9-11H2,(H,21,23)/t13-/m1/s1
InChIKeyVWXIHYJDLMHLIJ-CYBMUJFWSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
CID 24831481
2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
CID 91841222
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56504110
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
3,4,6-trichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 55857963
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide (CID 166287246) is 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCN(Cc2ccccn2)C1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is VWXIHYJDLMHLIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-15-6-3-5-14(16(15)19)17(23)21-13-7-9-22(11-13)10-12-4-1-2-8-20-12/h1-6,8,13H,7,9-11H2,(H,21,23)/t13-/m1/s1.
What are the key properties of 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide?
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 350.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 166287246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).