(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C19H24ClN3O2 — CID 7403597

IUPAC(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1Cl)C1CC1
InChIInChI=1S/C19H24ClN3O2/c20-16-6-1-2-7-17(16)22-19(25)23-14-4-3-5-15(23)11-13(10-14)21-18(24)12-8-9-12/h1-2,6-7,12-15H,3-5,8-11H2,(H,21,24)(H,22,25)/t14-,15-/m0/s1
InChIKeyMOYZLDASJCJQKP-GJZGRUSLSA-N
MW361.87 g/mol
LogP3.78
Rot. Bonds3

About (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 7403597) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID7403597
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1Cl)C1CC1
InChIInChI=1S/C19H24ClN3O2/c20-16-6-1-2-7-17(16)22-19(25)23-14-4-3-5-15(23)11-13(10-14)21-18(24)12-8-9-12/h1-2,6-7,12-15H,3-5,8-11H2,(H,21,24)(H,22,25)/t14-,15-/m0/s1
InChIKeyMOYZLDASJCJQKP-GJZGRUSLSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 7403597) is (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide is O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1Cl)C1CC1.
What is the InChIKey of (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is MOYZLDASJCJQKP-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c20-16-6-1-2-7-17(16)22-19(25)23-14-4-3-5-15(23)11-13(10-14)21-18(24)12-8-9-12/h1-2,6-7,12-15H,3-5,8-11H2,(H,21,24)(H,22,25)/t14-,15-/m0/s1.
What are the key properties of (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 7403597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).