5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide

C18H20BrNO — CID 65307677

IUPAC5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H20BrNO/c1-12-5-8-14(19)11-16(12)17(21)20-15-9-6-13(7-10-15)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyMKLFQVSYNGCKDU-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.31
Rot. Bonds2

About 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide

5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide (PubChem CID 65307677) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
PubChem CID65307677
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H20BrNO/c1-12-5-8-14(19)11-16(12)17(21)20-15-9-6-13(7-10-15)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyMKLFQVSYNGCKDU-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-bromo-N-[4-(2-bromoethyl)phenyl]-2-methylbenzamide
CID 114310322
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide (CID 65307677) is 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide?
The InChIKey is MKLFQVSYNGCKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-5-8-14(19)11-16(12)17(21)20-15-9-6-13(7-10-15)18(2,3)4/h5-11H,1-4H3,(H,20,21).
What are the key properties of 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide?
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide has a molecular weight of 346.27 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide is sourced from PubChem (CID 65307677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).