4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C14H18BrNO — CID 79350622

IUPAC4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C14H18BrNO/c1-13(2)12(14(13,3)4)16-11(17)9-5-7-10(15)8-6-9/h5-8,12H,1-4H3,(H,16,17)
InChIKeyRDBOCALHIHZRQN-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.61
Rot. Bonds2

About 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 79350622) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID79350622
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C14H18BrNO/c1-13(2)12(14(13,3)4)16-11(17)9-5-7-10(15)8-6-9/h5-8,12H,1-4H3,(H,16,17)
InChIKeyRDBOCALHIHZRQN-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79358822
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
4-bromo-N-cyclooctylbenzamide
CID 902872
4-bromo-N-cycloheptylbenzamide
CID 2843132
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-bromo-N-(1-ethylcyclopropyl)benzamide
CID 131025860
4-bromo-N-(4-bromocyclohexyl)benzamide
CID 114309063

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 79350622) is 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=O)c2ccc(Br)cc2)C1(C)C.
What is the InChIKey of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is RDBOCALHIHZRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-13(2)12(14(13,3)4)16-11(17)9-5-7-10(15)8-6-9/h5-8,12H,1-4H3,(H,16,17).
What are the key properties of 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 296.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 79350622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).