3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide

C12H17BrN2O — CID 107871970

IUPAC3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
SMILESCCC(C)NC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C12H17BrN2O/c1-4-7(2)15-12(16)10-5-9(13)6-11(14)8(10)3/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyPJMYCJCFWGYXID-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.87
Rot. Bonds3

About 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide

3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide (PubChem CID 107871970) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
PubChem CID107871970
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
SMILESCCC(C)NC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C12H17BrN2O/c1-4-7(2)15-12(16)10-5-9(13)6-11(14)8(10)3/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyPJMYCJCFWGYXID-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.87
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

3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
CID 114011367
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
CID 107872505
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide (CID 107871970) is 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide is CCC(C)NC(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide?
The InChIKey is PJMYCJCFWGYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-7(2)15-12(16)10-5-9(13)6-11(14)8(10)3/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide?
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide is sourced from PubChem (CID 107871970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).