N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide

C19H20BrNO2 — CID 86218375

IUPACN-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)C(=O)N(Cc1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C19H20BrNO2/c1-19(2,3)18(23)21(13-14-9-5-4-6-10-14)17(22)15-11-7-8-12-16(15)20/h4-12H,13H2,1-3H3
InChIKeyXHMZULJEIGDHOP-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.66
Rot. Bonds3

About N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide

N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide (PubChem CID 86218375) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide
PubChem CID86218375
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC NameN-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)C(=O)N(Cc1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C19H20BrNO2/c1-19(2,3)18(23)21(13-14-9-5-4-6-10-14)17(22)15-11-7-8-12-16(15)20/h4-12H,13H2,1-3H3
InChIKeyXHMZULJEIGDHOP-UHFFFAOYSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4539378
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CID 3290123
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CID 28799501
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2-bromo-N-tert-butyl-N-methylbenzamide
CID 4597758
N',N'-dibenzyl-2-bromobenzohydrazide
CID 3531663
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
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CID 17065283
sodium;2-bromo-N-tert-butylbenzohydrazide;hydride;toluene;hydrate;dihydrochloride
CID 173294130

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide?
The IUPAC name of N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide (CID 86218375) is N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide?
The canonical SMILES for N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide is CC(C)(C)C(=O)N(Cc1ccccc1)C(=O)c1ccccc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide?
The InChIKey is XHMZULJEIGDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-19(2,3)18(23)21(13-14-9-5-4-6-10-14)17(22)15-11-7-8-12-16(15)20/h4-12H,13H2,1-3H3.
What are the key properties of N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide?
N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide has a molecular weight of 374.28 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide is sourced from PubChem (CID 86218375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).