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

C20H23BrN2O2 — CID 17309171

IUPACN-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-4-14(5-2)19(24)22-16-8-6-15(7-9-16)20(25)23-17-10-11-18(21)13(3)12-17/h6-12,14H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNAFIBUZULFLZKO-UHFFFAOYSA-N
MW403.32 g/mol
LogP5.38
Rot. Bonds6

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

N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide (PubChem CID 17309171) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
PubChem CID17309171
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-4-14(5-2)19(24)22-16-8-6-15(7-9-16)20(25)23-17-10-11-18(21)13(3)12-17/h6-12,14H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNAFIBUZULFLZKO-UHFFFAOYSA-N
XLogP5.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
N-(2,3-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309087
4-bromo-2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzoic acid
CID 17362944

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide (CID 17309171) is N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide?
The InChIKey is NAFIBUZULFLZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-4-14(5-2)19(24)22-16-8-6-15(7-9-16)20(25)23-17-10-11-18(21)13(3)12-17/h6-12,14H,4-5H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide?
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide has a molecular weight of 403.32 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 17309171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).