1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide

C15H21BrN2O — CID 64750715

IUPAC1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(Nc2ccccc2Br)(C(N)=O)C1
InChIInChI=1S/C15H21BrN2O/c1-10-7-11(2)9-15(8-10,14(17)19)18-13-6-4-3-5-12(13)16/h3-6,10-11,18H,7-9H2,1-2H3,(H2,17,19)
InChIKeyQGGNULAZCHBRQZ-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide

1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide (PubChem CID 64750715) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
PubChem CID64750715
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(Nc2ccccc2Br)(C(N)=O)C1
InChIInChI=1S/C15H21BrN2O/c1-10-7-11(2)9-15(8-10,14(17)19)18-13-6-4-3-5-12(13)16/h3-6,10-11,18H,7-9H2,1-2H3,(H2,17,19)
InChIKeyQGGNULAZCHBRQZ-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide (CID 64750715) is 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide is CC1CC(C)CC(Nc2ccccc2Br)(C(N)=O)C1.
What is the InChIKey of 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is QGGNULAZCHBRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-7-11(2)9-15(8-10,14(17)19)18-13-6-4-3-5-12(13)16/h3-6,10-11,18H,7-9H2,1-2H3,(H2,17,19).
What are the key properties of 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide?
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 64750715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).