4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide

C11H13BrClNO — CID 114295185

IUPAC4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrClNO/c1-11(2,7-13)14-10(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyZIWLEZAMGUAITB-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.20
Rot. Bonds3

About 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide

4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide (PubChem CID 114295185) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
PubChem CID114295185
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrClNO/c1-11(2,7-13)14-10(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyZIWLEZAMGUAITB-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzamide
CID 107867592
3-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxybenzamide
CID 114295158
4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
CID 11291032
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-(1-chloro-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691058
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide
CID 114295348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide (CID 114295185) is 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide is CC(C)(CCl)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide?
The InChIKey is ZIWLEZAMGUAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-11(2,7-13)14-10(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide?
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide has a molecular weight of 290.59 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 114295185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).