3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C17H25BrN2O — CID 103965099

IUPAC3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(N)cc(Br)c2)CC(C)(C)C1
InChIInChI=1S/C17H25BrN2O/c1-16(2)8-14(9-17(3,4)10-16)20-15(21)11-5-12(18)7-13(19)6-11/h5-7,14H,8-10,19H2,1-4H3,(H,20,21)
InChIKeyMUXNHLAOISRIIQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.37
Rot. Bonds2

About 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 103965099) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID103965099
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(N)cc(Br)c2)CC(C)(C)C1
InChIInChI=1S/C17H25BrN2O/c1-16(2)8-14(9-17(3,4)10-16)20-15(21)11-5-12(18)7-13(19)6-11/h5-7,14H,8-10,19H2,1-4H3,(H,20,21)
InChIKeyMUXNHLAOISRIIQ-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107676803
3-bromo-5-[(3,3-dimethylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114546488
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
3-bromo-5-[(5,5-dimethyloxolan-3-yl)carbamoyl]benzoic acid
CID 136552064
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
6-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridazine-3-carboxamide
CID 103968311
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-5-bromo-N-(3-methyloxan-3-yl)benzamide
CID 114113463

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 103965099) is 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(NC(=O)c2cc(N)cc(Br)c2)CC(C)(C)C1.
What is the InChIKey of 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is MUXNHLAOISRIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-16(2)8-14(9-17(3,4)10-16)20-15(21)11-5-12(18)7-13(19)6-11/h5-7,14H,8-10,19H2,1-4H3,(H,20,21).
What are the key properties of 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 353.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 103965099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).