N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

C15H19ClN2O — CID 156608080

IUPACN-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)N1CC2CCC1C2
InChIInChI=1S/C15H19ClN2O/c16-13-4-1-11(2-5-13)7-8-17-15(19)18-10-12-3-6-14(18)9-12/h1-2,4-5,12,14H,3,6-10H2,(H,17,19)
InChIKeyQZZDHNXXUVKRHE-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.08
Rot. Bonds3

About N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156608080) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156608080
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)N1CC2CCC1C2
InChIInChI=1S/C15H19ClN2O/c16-13-4-1-11(2-5-13)7-8-17-15(19)18-10-12-3-6-14(18)9-12/h1-2,4-5,12,14H,3,6-10H2,(H,17,19)
InChIKeyQZZDHNXXUVKRHE-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376864
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 47447532
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184770

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156608080) is N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)N1CC2CCC1C2.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QZZDHNXXUVKRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-4-1-11(2-5-13)7-8-17-15(19)18-10-12-3-6-14(18)9-12/h1-2,4-5,12,14H,3,6-10H2,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156608080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).