N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide

C13H18BrNO — CID 62679368

IUPACN-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyWOTGTILCOLARTQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.50
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide

N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide (PubChem CID 62679368) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide
PubChem CID62679368
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyWOTGTILCOLARTQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-(2-bromophenyl)ethyl)-2-chloroacetamide
CID 3678007
2-Bromo-N-methylbenzamide
CID 264945
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
CID 23550321
N-benzyl-2-bromobenzamide
CID 687458
N-(2-bromobenzyl)acetamide
CID 2824953
1-[4-(2-Bromo-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742528
N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
N-[(2-fluorophenyl)methyl]-2,2-dimethylbutanamide
CID 121446730
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-Allyl-2-bromobenzamide
CID 1591515
2-Bromo-N-(tert-butoxycarbonyl)benzylamine
CID 7018300
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide (CID 62679368) is N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide?
The InChIKey is WOTGTILCOLARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide?
N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide has a molecular weight of 284.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 62679368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).