6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C21H22ClN3O2 — CID 156601992

IUPAC6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CC2CC(NC(=O)c3ccccc3)C1C2
InChIInChI=1S/C21H22ClN3O2/c1-13-9-16(22)7-8-17(13)24-21(27)25-12-14-10-18(19(25)11-14)23-20(26)15-5-3-2-4-6-15/h2-9,14,18-19H,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyNAJRFVWSTFQWMG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.07
Rot. Bonds3

About 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156601992) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156601992
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CC2CC(NC(=O)c3ccccc3)C1C2
InChIInChI=1S/C21H22ClN3O2/c1-13-9-16(22)7-8-17(13)24-21(27)25-12-14-10-18(19(25)11-14)23-20(26)15-5-3-2-4-6-15/h2-9,14,18-19H,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyNAJRFVWSTFQWMG-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601976
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 91903403
(1R,4S,6S)-N-(4-chloro-2-methylphenyl)-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71836884
6-benzamido-N-(1,3-benzodioxol-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601988
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
5-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602241
N-[(1R,4R,6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184777
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184754
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594

Frequently Asked Questions

What is the IUPAC name of 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156601992) is 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CC2CC(NC(=O)c3ccccc3)C1C2.
What is the InChIKey of 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NAJRFVWSTFQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-13-9-16(22)7-8-17(13)24-21(27)25-12-14-10-18(19(25)11-14)23-20(26)15-5-3-2-4-6-15/h2-9,14,18-19H,10-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156601992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).