N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide

C12H17BrN2O — CID 82861698

IUPACN-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)7-11(16)15-8-4-5-10(14)9(13)6-8/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyPJFUGFWVPAPWGC-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.41
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide

N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide (PubChem CID 82861698) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
PubChem CID82861698
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)7-11(16)15-8-4-5-10(14)9(13)6-8/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyPJFUGFWVPAPWGC-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.41
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

N-(3-bromo-4-carbamothioylphenyl)-3,3-dimethylbutanamide
CID 112736120
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide
CID 89411564
1-(4-amino-3-bromophenyl)-3-propylurea
CID 82861515
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide (CID 82861698) is N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide?
The InChIKey is PJFUGFWVPAPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,3)7-11(16)15-8-4-5-10(14)9(13)6-8/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide?
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 82861698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).