N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide

C12H15BrClNO — CID 107582673

IUPACN-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCc1cc(Br)cc(NC(=O)C(C)(C)CCl)c1
InChIInChI=1S/C12H15BrClNO/c1-8-4-9(13)6-10(5-8)15-11(16)12(2,3)7-14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFHYPEWFSCCTUGJ-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.96
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide

N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 107582673) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
PubChem CID107582673
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCc1cc(Br)cc(NC(=O)C(C)(C)CCl)c1
InChIInChI=1S/C12H15BrClNO/c1-8-4-9(13)6-10(5-8)15-11(16)12(2,3)7-14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFHYPEWFSCCTUGJ-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.96
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

N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
N-(3-bromo-5-methylphenyl)-2-carbamothioyl-2-ethylbutanamide
CID 107583679
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
methyl 3-(3-bromo-5-methylanilino)-2,2-dimethylpropanoate
CID 107583294
N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
CID 104938652
N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 104776270
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide (CID 107582673) is N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide is Cc1cc(Br)cc(NC(=O)C(C)(C)CCl)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is FHYPEWFSCCTUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-8-4-9(13)6-10(5-8)15-11(16)12(2,3)7-14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 304.62 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 107582673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).