2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide

C17H17BrClNO — CID 107984063

IUPAC2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(CCl)c2ccccc2)c1Br
InChIInChI=1S/C17H17BrClNO/c1-12-7-6-10-14(15(12)18)16(21)20-17(2,11-19)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMYCFNIKLNQEFIZ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.64
Rot. Bonds4

About 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide

2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide (PubChem CID 107984063) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
PubChem CID107984063
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(CCl)c2ccccc2)c1Br
InChIInChI=1S/C17H17BrClNO/c1-12-7-6-10-14(15(12)18)16(21)20-17(2,11-19)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMYCFNIKLNQEFIZ-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.64
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

2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
2-bromo-N-(4-bromo-2-methylbutan-2-yl)-3-methylbenzamide
CID 107984046
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113372142
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide (CID 107984063) is 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)NC(C)(CCl)c2ccccc2)c1Br.
What is the InChIKey of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
The InChIKey is MYCFNIKLNQEFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-12-7-6-10-14(15(12)18)16(21)20-17(2,11-19)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide has a molecular weight of 366.69 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 107984063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).