N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride

C16H20Cl2N2O — CID 141172267

IUPACN-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
SMILESCl.O=C(NC1[C@H]2CC3C[C@H]1CN(C3)C2)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O.ClH/c17-14-3-1-11(2-4-14)16(20)18-15-12-5-10-6-13(15)9-19(7-10)8-12;/h1-4,10,12-13,15H,5-9H2,(H,18,20);1H/t10?,12-,13-,15?;/m0./s1
InChIKeyAWNCFJWEKSTKCE-PZUCLOIHSA-N
MW327.25 g/mol
LogP2.83
Rot. Bonds2

About N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride

N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride (PubChem CID 141172267) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
PubChem CID141172267
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
SMILESCl.O=C(NC1[C@H]2CC3C[C@H]1CN(C3)C2)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O.ClH/c17-14-3-1-11(2-4-14)16(20)18-15-12-5-10-6-13(15)9-19(7-10)8-12;/h1-4,10,12-13,15H,5-9H2,(H,18,20);1H/t10?,12-,13-,15?;/m0./s1
InChIKeyAWNCFJWEKSTKCE-PZUCLOIHSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide
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CID 3608392
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride (CID 141172267) is N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride is Cl.O=C(NC1[C@H]2CC3C[C@H]1CN(C3)C2)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride?
The InChIKey is AWNCFJWEKSTKCE-PZUCLOIHSA-N. The full InChI is InChI=1S/C16H19ClN2O.ClH/c17-14-3-1-11(2-4-14)16(20)18-15-12-5-10-6-13(15)9-19(7-10)8-12;/h1-4,10,12-13,15H,5-9H2,(H,18,20);1H/t10?,12-,13-,15?;/m0./s1.
What are the key properties of N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride?
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride has a molecular weight of 327.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 141172267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).