N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide

C14H17ClN2O — CID 10061378

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-7-10-5-6-17(8-10)9-13/h1-4,10,13H,5-9H2,(H,16,18)/t10-,13-/m1/s1
InChIKeyYAQNYNSHRCTPEH-ZWNOBZJWSA-N
MW264.76 g/mol
LogP2.16
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide (PubChem CID 10061378) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide
PubChem CID10061378
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-7-10-5-6-17(8-10)9-13/h1-4,10,13H,5-9H2,(H,16,18)/t10-,13-/m1/s1
InChIKeyYAQNYNSHRCTPEH-ZWNOBZJWSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide (CID 10061378) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide?
The InChIKey is YAQNYNSHRCTPEH-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-7-10-5-6-17(8-10)9-13/h1-4,10,13H,5-9H2,(H,16,18)/t10-,13-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide has a molecular weight of 264.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-chlorobenzamide is sourced from PubChem (CID 10061378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).