N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

C21H22N2O2 — CID 53184790

IUPACN-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESCc1ccccc1C(=O)N1C[C@@H]2C[C@H](NC(=O)c3ccccc3)[C@H]1C2
InChIInChI=1S/C21H22N2O2/c1-14-7-5-6-10-17(14)21(25)23-13-15-11-18(19(23)12-15)22-20(24)16-8-3-2-4-9-16/h2-10,15,18-19H,11-13H2,1H3,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyLRGNHZVEBIDEOU-AYOQOUSVSA-N
MW334.42 g/mol
LogP3.03
Rot. Bonds3

About N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (PubChem CID 53184790) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
PubChem CID53184790
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESCc1ccccc1C(=O)N1C[C@@H]2C[C@H](NC(=O)c3ccccc3)[C@H]1C2
InChIInChI=1S/C21H22N2O2/c1-14-7-5-6-10-17(14)21(25)23-13-15-11-18(19(23)12-15)22-20(24)16-8-3-2-4-9-16/h2-10,15,18-19H,11-13H2,1H3,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyLRGNHZVEBIDEOU-AYOQOUSVSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602110
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602098
6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601992
6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601976
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577
(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 91903403
N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184754
N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638
6-benzamido-N-(1,3-benzodioxol-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601988
[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone
CID 131643735
N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601593

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The IUPAC name of N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (CID 53184790) is N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.
What is the SMILES notation for N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The canonical SMILES for N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is Cc1ccccc1C(=O)N1C[C@@H]2C[C@H](NC(=O)c3ccccc3)[C@H]1C2.
What is the InChIKey of N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The InChIKey is LRGNHZVEBIDEOU-AYOQOUSVSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-7-5-6-10-17(14)21(25)23-13-15-11-18(19(23)12-15)22-20(24)16-8-3-2-4-9-16/h2-10,15,18-19H,11-13H2,1H3,(H,22,24)/t15-,18+,19-/m1/s1.
What are the key properties of N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is sourced from PubChem (CID 53184790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).