N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

C22H24N2O4 — CID 156602136

IUPACN-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)c1
InChIInChI=1S/C22H24N2O4/c1-27-17-10-16(11-18(12-17)28-2)22(26)24-13-14-8-19(20(24)9-14)23-21(25)15-6-4-3-5-7-15/h3-7,10-12,14,19-20H,8-9,13H2,1-2H3,(H,23,25)
InChIKeyYXSPRFFLAYUSEP-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (PubChem CID 156602136) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
PubChem CID156602136
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)c1
InChIInChI=1S/C22H24N2O4/c1-27-17-10-16(11-18(12-17)28-2)22(26)24-13-14-8-19(20(24)9-14)23-21(25)15-6-4-3-5-7-15/h3-7,10-12,14,19-20H,8-9,13H2,1-2H3,(H,23,25)
InChIKeyYXSPRFFLAYUSEP-UHFFFAOYSA-N
XLogP2.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602098
N-[2-(2,3-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602110
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577
N-[(1R,4R,6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184777
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601976
N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601593
6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601992
(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 91903403
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 156601654
N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184754

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The IUPAC name of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (CID 156602136) is N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is COc1cc(OC)cc(C(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)c1.
What is the InChIKey of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The InChIKey is YXSPRFFLAYUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-17-10-16(11-18(12-17)28-2)22(26)24-13-14-8-19(20(24)9-14)23-21(25)15-6-4-3-5-7-15/h3-7,10-12,14,19-20H,8-9,13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is sourced from PubChem (CID 156602136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).