4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide

C23H20BrNO3 — CID 19645092

IUPAC4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
SMILESCCC(Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-2-21(22(26)16-6-4-3-5-7-16)28-20-14-12-19(13-15-20)25-23(27)17-8-10-18(24)11-9-17/h3-15,21H,2H2,1H3,(H,25,27)
InChIKeyOZKMOJBJEUSHMT-UHFFFAOYSA-N
MW438.32 g/mol
LogP5.74
Rot. Bonds7

About 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide

4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide (PubChem CID 19645092) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
PubChem CID19645092
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Name4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
SMILESCCC(Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-2-21(22(26)16-6-4-3-5-7-16)28-20-14-12-19(13-15-20)25-23(27)17-8-10-18(24)11-9-17/h3-15,21H,2H2,1H3,(H,25,27)
InChIKeyOZKMOJBJEUSHMT-UHFFFAOYSA-N
XLogP5.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
CID 43799769
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide
CID 4929836
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
4-(1-oxo-1-phenylbutan-2-yl)oxybenzonitrile
CID 62030456
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide (CID 19645092) is 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide is CCC(Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(=O)c1ccccc1.
What is the InChIKey of 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
The InChIKey is OZKMOJBJEUSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO3/c1-2-21(22(26)16-6-4-3-5-7-16)28-20-14-12-19(13-15-20)25-23(27)17-8-10-18(24)11-9-17/h3-15,21H,2H2,1H3,(H,25,27).
What are the key properties of 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide?
4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide has a molecular weight of 438.32 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide is sourced from PubChem (CID 19645092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).