5-bromo-2-(butanoylamino)benzamide

C11H13BrN2O2 — CID 12989236

IUPAC5-bromo-2-(butanoylamino)benzamide
SMILESCCCC(=O)Nc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-2-3-10(15)14-9-5-4-7(12)6-8(9)11(13)16/h4-6H,2-3H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWAYMKURRTSKWTD-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-2-(butanoylamino)benzamide

5-bromo-2-(butanoylamino)benzamide (PubChem CID 12989236) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-2-(butanoylamino)benzamide.

Molecular Properties

Compound Name5-bromo-2-(butanoylamino)benzamide
PubChem CID12989236
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-2-(butanoylamino)benzamide
SMILESCCCC(=O)Nc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-2-3-10(15)14-9-5-4-7(12)6-8(9)11(13)16/h4-6H,2-3H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWAYMKURRTSKWTD-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 82703720
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
N-(4-bromo-2-oxamoylphenyl)octanamide
CID 102529539
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 107800560
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-(4-bromo-2-carbamothioylphenyl)-3-methoxypropanamide
CID 82703652
N-(4-bromo-2-carbamothioylphenyl)-3-methylsulfanylpropanamide
CID 82703515
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-ethoxypropanamide
CID 82703946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(butanoylamino)benzamide?
The IUPAC name of 5-bromo-2-(butanoylamino)benzamide (CID 12989236) is 5-bromo-2-(butanoylamino)benzamide.
What is the SMILES notation for 5-bromo-2-(butanoylamino)benzamide?
The canonical SMILES for 5-bromo-2-(butanoylamino)benzamide is CCCC(=O)Nc1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-(butanoylamino)benzamide?
The InChIKey is WAYMKURRTSKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-3-10(15)14-9-5-4-7(12)6-8(9)11(13)16/h4-6H,2-3H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 5-bromo-2-(butanoylamino)benzamide?
5-bromo-2-(butanoylamino)benzamide has a molecular weight of 285.14 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(butanoylamino)benzamide is sourced from PubChem (CID 12989236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).