N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide

C19H22BrNO2 — CID 54784402

IUPACN-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-13(2)9-10-23-16-6-4-5-15(12-16)19(22)21-18-8-7-14(3)11-17(18)20/h4-8,11-13H,9-10H2,1-3H3,(H,21,22)
InChIKeyIHUKQUFYSMFHKM-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.43
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide

N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide (PubChem CID 54784402) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
PubChem CID54784402
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-13(2)9-10-23-16-6-4-5-15(12-16)19(22)21-18-8-7-14(3)11-17(18)20/h4-8,11-13H,9-10H2,1-3H3,(H,21,22)
InChIKeyIHUKQUFYSMFHKM-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4981659
N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982057
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 2443222
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide (CID 54784402) is N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide is Cc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide?
The InChIKey is IHUKQUFYSMFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13(2)9-10-23-16-6-4-5-15(12-16)19(22)21-18-8-7-14(3)11-17(18)20/h4-8,11-13H,9-10H2,1-3H3,(H,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide?
N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide has a molecular weight of 376.29 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 54784402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).