N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide

C19H20Br2N2O3 — CID 17172041

IUPACN-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C19H20Br2N2O3/c1-3-11(4-2)18(25)22-13-7-5-12(6-8-13)19(26)23-14-9-15(20)17(24)16(21)10-14/h5-11,24H,3-4H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKNBMGVRUYPFDEK-UHFFFAOYSA-N
MW484.19 g/mol
LogP5.54
Rot. Bonds6

About N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide

N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide (PubChem CID 17172041) has the molecular formula C19H20Br2N2O3 and a molecular weight of 484.19 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
PubChem CID17172041
Molecular FormulaC19H20Br2N2O3
Molecular Weight484.19 g/mol
Exact Mass481.98
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C19H20Br2N2O3/c1-3-11(4-2)18(25)22-13-7-5-12(6-8-13)19(26)23-14-9-15(20)17(24)16(21)10-14/h5-11,24H,3-4H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKNBMGVRUYPFDEK-UHFFFAOYSA-N
XLogP5.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.19
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
4-bromo-2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzoic acid
CID 17362944
N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
CID 5119029
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
4-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6458348

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide (CID 17172041) is N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide?
The InChIKey is KNBMGVRUYPFDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O3/c1-3-11(4-2)18(25)22-13-7-5-12(6-8-13)19(26)23-14-9-15(20)17(24)16(21)10-14/h5-11,24H,3-4H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide?
N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide has a molecular weight of 484.19 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 17172041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).