2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide

C17H15BrN2O3 — CID 51208638

IUPAC2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O3/c18-12-7-5-11(6-8-12)15(21)9-10-16(22)20-14-4-2-1-3-13(14)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,22)
InChIKeyMHOFTOXPVSTOOU-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.15
Rot. Bonds6

About 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide

2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 51208638) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID51208638
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O3/c18-12-7-5-11(6-8-12)15(21)9-10-16(22)20-14-4-2-1-3-13(14)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,22)
InChIKeyMHOFTOXPVSTOOU-UHFFFAOYSA-N
XLogP3.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
CID 110676330
2-(3-aminopropanoylamino)benzamide
CID 22692052
4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 38169110
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-(7-chloroheptanoylamino)benzamide
CID 139930503
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide (CID 51208638) is 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is MHOFTOXPVSTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-12-7-5-11(6-8-12)15(21)9-10-16(22)20-14-4-2-1-3-13(14)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,22).
What are the key properties of 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide?
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 375.22 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 51208638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).