6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C20H20ClN3O2 — CID 156601976

IUPAC6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CC2CC1N(C(=O)Nc1ccccc1Cl)C2)c1ccccc1
InChIInChI=1S/C20H20ClN3O2/c21-15-8-4-5-9-16(15)23-20(26)24-12-13-10-17(18(24)11-13)22-19(25)14-6-2-1-3-7-14/h1-9,13,17-18H,10-12H2,(H,22,25)(H,23,26)
InChIKeyQTQOKYPNZJXARO-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.76
Rot. Bonds3

About 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156601976) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156601976
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CC2CC1N(C(=O)Nc1ccccc1Cl)C2)c1ccccc1
InChIInChI=1S/C20H20ClN3O2/c21-15-8-4-5-9-16(15)23-20(26)24-12-13-10-17(18(24)11-13)22-19(25)14-6-2-1-3-7-14/h1-9,13,17-18H,10-12H2,(H,22,25)(H,23,26)
InChIKeyQTQOKYPNZJXARO-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
6-benzamido-N-(1,3-benzodioxol-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601988
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
N-[(1R,4R,6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184777
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184754
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577
N-[2-(2,3-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602110
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 87052672

Frequently Asked Questions

What is the IUPAC name of 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156601976) is 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1CC2CC1N(C(=O)Nc1ccccc1Cl)C2)c1ccccc1.
What is the InChIKey of 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QTQOKYPNZJXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-8-4-5-9-16(15)23-20(26)24-12-13-10-17(18(24)11-13)22-19(25)14-6-2-1-3-7-14/h1-9,13,17-18H,10-12H2,(H,22,25)(H,23,26).
What are the key properties of 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156601976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).