7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide

C18H25BrN2O — CID 123785300

IUPAC7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)C2CCCC1C(C(N)=O)C2CNc1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O/c1-18(2)14-4-3-5-15(18)16(17(20)22)13(14)10-21-12-8-6-11(19)7-9-12/h6-9,13-16,21H,3-5,10H2,1-2H3,(H2,20,22)
InChIKeyAOJDLKABYKPYGH-UHFFFAOYSA-N
MW365.32 g/mol
LogP4.03
Rot. Bonds4

About 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide

7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide (PubChem CID 123785300) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide
PubChem CID123785300
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)C2CCCC1C(C(N)=O)C2CNc1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O/c1-18(2)14-4-3-5-15(18)16(17(20)22)13(14)10-21-12-8-6-11(19)7-9-12/h6-9,13-16,21H,3-5,10H2,1-2H3,(H2,20,22)
InChIKeyAOJDLKABYKPYGH-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide (CID 123785300) is 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide is CC1(C)C2CCCC1C(C(N)=O)C2CNc1ccc(Br)cc1.
What is the InChIKey of 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is AOJDLKABYKPYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-18(2)14-4-3-5-15(18)16(17(20)22)13(14)10-21-12-8-6-11(19)7-9-12/h6-9,13-16,21H,3-5,10H2,1-2H3,(H2,20,22).
What are the key properties of 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide?
7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromoanilino)methyl]-8,8-dimethylbicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 123785300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).