4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide

C18H27BrN2O — CID 68829645

IUPAC4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide
SMILESCC(C)(C)C/N=C/c1cc(C(=O)NCC(C)(C)C)ccc1Br
InChIInChI=1S/C18H27BrN2O/c1-17(2,3)11-20-10-14-9-13(7-8-15(14)19)16(22)21-12-18(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,22)/b20-10+
InChIKeyZAUYLQSVRVHVDS-KEBDBYFISA-N
MW367.33 g/mol
LogP4.69
Rot. Bonds4

About 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide

4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide (PubChem CID 68829645) has the molecular formula C18H27BrN2O and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide
PubChem CID68829645
Molecular FormulaC18H27BrN2O
Molecular Weight367.33 g/mol
Exact Mass366.13
IUPAC Name4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide
SMILESCC(C)(C)C/N=C/c1cc(C(=O)NCC(C)(C)C)ccc1Br
InChIInChI=1S/C18H27BrN2O/c1-17(2,3)11-20-10-14-9-13(7-8-15(14)19)16(22)21-12-18(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,22)/b20-10+
InChIKeyZAUYLQSVRVHVDS-KEBDBYFISA-N
XLogP4.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide?
The IUPAC name of 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide (CID 68829645) is 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide is CC(C)(C)C/N=C/c1cc(C(=O)NCC(C)(C)C)ccc1Br.
What is the InChIKey of 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide?
The InChIKey is ZAUYLQSVRVHVDS-KEBDBYFISA-N. The full InChI is InChI=1S/C18H27BrN2O/c1-17(2,3)11-20-10-14-9-13(7-8-15(14)19)16(22)21-12-18(4,5)6/h7-10H,11-12H2,1-6H3,(H,21,22)/b20-10+.
What are the key properties of 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide?
4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide has a molecular weight of 367.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropyliminomethyl)benzamide is sourced from PubChem (CID 68829645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).