N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C18H22ClNO2 — CID 2950440

IUPACN-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCc3ccccc3Cl)(CC1=O)C2(C)C
InChIInChI=1S/C18H22ClNO2/c1-16(2)17(3)8-9-18(16,10-14(17)21)15(22)20-11-12-6-4-5-7-13(12)19/h4-7H,8-11H2,1-3H3,(H,20,22)
InChIKeyAUHVLWTWBCLNGO-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.74
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2950440) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2950440
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCc3ccccc3Cl)(CC1=O)C2(C)C
InChIInChI=1S/C18H22ClNO2/c1-16(2)17(3)8-9-18(16,10-14(17)21)15(22)20-11-12-6-4-5-7-13(12)19/h4-7H,8-11H2,1-3H3,(H,20,22)
InChIKeyAUHVLWTWBCLNGO-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2950440) is N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NCc3ccccc3Cl)(CC1=O)C2(C)C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is AUHVLWTWBCLNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-16(2)17(3)8-9-18(16,10-14(17)21)15(22)20-11-12-6-4-5-7-13(12)19/h4-7H,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 319.83 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).