3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide

C18H20BrNO — CID 63523704

IUPAC3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-12,16H,1-3H3,(H,20,21)
InChIKeyGBMCZFPFTOZMMN-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.97
Rot. Bonds3

About 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide

3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide (PubChem CID 63523704) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
PubChem CID63523704
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-12,16H,1-3H3,(H,20,21)
InChIKeyGBMCZFPFTOZMMN-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
(2S)-2-[(3-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143086
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
N-benzoyl-3-bromobenzamide
CID 118577200
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
The IUPAC name of 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide (CID 63523704) is 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide is CC(C)(C)C(NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
The InChIKey is GBMCZFPFTOZMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-12,16H,1-3H3,(H,20,21).
What are the key properties of 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide has a molecular weight of 346.27 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide is sourced from PubChem (CID 63523704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).