N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide

C19H19ClN2O2 — CID 22573492

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
SMILESO=C(NC1CN2CCC1C2)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O2/c20-15-3-7-17(8-4-15)24-16-5-1-13(2-6-16)19(23)21-18-12-22-10-9-14(18)11-22/h1-8,14,18H,9-12H2,(H,21,23)
InChIKeyJXBOBSRNSVJLKG-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.57
Rot. Bonds4

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide (PubChem CID 22573492) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
PubChem CID22573492
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
SMILESO=C(NC1CN2CCC1C2)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O2/c20-15-3-7-17(8-4-15)24-16-5-1-13(2-6-16)19(23)21-18-12-22-10-9-14(18)11-22/h1-8,14,18H,9-12H2,(H,21,23)
InChIKeyJXBOBSRNSVJLKG-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)sulfanylbenzamide
CID 22045877
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)furan-2-carboxamide
CID 18181590
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide (CID 22573492) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide is O=C(NC1CN2CCC1C2)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide?
The InChIKey is JXBOBSRNSVJLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-15-3-7-17(8-4-15)24-16-5-1-13(2-6-16)19(23)21-18-12-22-10-9-14(18)11-22/h1-8,14,18H,9-12H2,(H,21,23).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide is sourced from PubChem (CID 22573492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).