N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

C22H24N2O4 — CID 53184800

IUPACN-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
SMILESCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-27-17-8-9-18(20(12-17)28-2)22(26)24-13-15-10-16(24)11-19(15)23-21(25)14-6-4-3-5-7-14/h3-9,12,15-16,19H,10-11,13H2,1-2H3,(H,23,25)/t15-,16-,19-/m0/s1
InChIKeyMHSHBHLBNUWZLT-BXWFABGCSA-N
MW380.44 g/mol
LogP2.74
Rot. Bonds5

About N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide (PubChem CID 53184800) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide.

Molecular Properties

Compound NameN-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
PubChem CID53184800
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
SMILESCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-27-17-8-9-18(20(12-17)28-2)22(26)24-13-15-10-16(24)11-19(15)23-21(25)14-6-4-3-5-7-14/h3-9,12,15-16,19H,10-11,13H2,1-2H3,(H,23,25)/t15-,16-,19-/m0/s1
InChIKeyMHSHBHLBNUWZLT-BXWFABGCSA-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

Analyze N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide with MolForge

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Related Compounds

N-[2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156602235
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 156601654
(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 42878811
methyl 1-(2,4-dimethoxybenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620311
N-[(1R,5S)-8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912256
N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610369
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 53184818
5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156609917
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide
CID 171680452
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 155873161

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The IUPAC name of N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide (CID 53184800) is N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide.
What is the SMILES notation for N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The canonical SMILES for N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide is COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
The InChIKey is MHSHBHLBNUWZLT-BXWFABGCSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-17-8-9-18(20(12-17)28-2)22(26)24-13-15-10-16(24)11-19(15)23-21(25)14-6-4-3-5-7-14/h3-9,12,15-16,19H,10-11,13H2,1-2H3,(H,23,25)/t15-,16-,19-/m0/s1.
What are the key properties of N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide?
N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-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-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide is sourced from PubChem (CID 53184800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).