N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide

C19H23ClN2O — CID 141077568

IUPACN-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
SMILESO=C(C1=CCN2CCCC1C2)N(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C19H23ClN2O/c20-16-5-1-3-14(11-16)12-22(17-6-7-17)19(23)18-8-10-21-9-2-4-15(18)13-21/h1,3,5,8,11,15,17H,2,4,6-7,9-10,12-13H2
InChIKeyQOKJCVZXYUJIOH-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.48
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide

N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide (PubChem CID 141077568) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
PubChem CID141077568
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
SMILESO=C(C1=CCN2CCCC1C2)N(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C19H23ClN2O/c20-16-5-1-3-14(11-16)12-22(17-6-7-17)19(23)18-8-10-21-9-2-4-15(18)13-21/h1,3,5,8,11,15,17H,2,4,6-7,9-10,12-13H2
InChIKeyQOKJCVZXYUJIOH-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide (CID 141077568) is N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide is O=C(C1=CCN2CCCC1C2)N(Cc1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The InChIKey is QOKJCVZXYUJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-16-5-1-3-14(11-16)12-22(17-6-7-17)19(23)18-8-10-21-9-2-4-15(18)13-21/h1,3,5,8,11,15,17H,2,4,6-7,9-10,12-13H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide has a molecular weight of 330.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-cyclopropyl-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide is sourced from PubChem (CID 141077568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).