2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide

C19H20BrNO2 — CID 156788893

IUPAC2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C=O)cc2C(C)(C)C)c1Br
InChIInChI=1S/C19H20BrNO2/c1-12-6-5-7-14(17(12)20)18(23)21-16-9-8-13(11-22)10-15(16)19(2,3)4/h5-11H,1-4H3,(H,21,23)
InChIKeyRDHIHANDUIZMPO-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.12
Rot. Bonds3

About 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide

2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide (PubChem CID 156788893) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide
PubChem CID156788893
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C=O)cc2C(C)(C)C)c1Br
InChIInChI=1S/C19H20BrNO2/c1-12-6-5-7-14(17(12)20)18(23)21-16-9-8-13(11-22)10-15(16)19(2,3)4/h5-11H,1-4H3,(H,21,23)
InChIKeyRDHIHANDUIZMPO-UHFFFAOYSA-N
XLogP5.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide (CID 156788893) is 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C=O)cc2C(C)(C)C)c1Br.
What is the InChIKey of 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide?
The InChIKey is RDHIHANDUIZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-12-6-5-7-14(17(12)20)18(23)21-16-9-8-13(11-22)10-15(16)19(2,3)4/h5-11H,1-4H3,(H,21,23).
What are the key properties of 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide?
2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide has a molecular weight of 374.28 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide is sourced from PubChem (CID 156788893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).