4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide

C21H17BrN2O3 — CID 112771581

IUPAC4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17BrN2O3/c22-16-12-10-15(11-13-16)21(26)23-14-20(25)24-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyVCCGEOFJSFEMCU-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.61
Rot. Bonds6

About 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide

4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide (PubChem CID 112771581) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide
PubChem CID112771581
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17BrN2O3/c22-16-12-10-15(11-13-16)21(26)23-14-20(25)24-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyVCCGEOFJSFEMCU-UHFFFAOYSA-N
XLogP4.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 169183147
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
2-(cyclopropylamino)-N-(2-phenoxyphenyl)acetamide
CID 60647217
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 9165071
2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
CID 113000974
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
N-[2-oxo-2-(2-phenoxyanilino)ethyl]isoquinoline-4-carboxamide
CID 126718473
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 18506122

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide (CID 112771581) is 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide?
The InChIKey is VCCGEOFJSFEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-16-12-10-15(11-13-16)21(26)23-14-20(25)24-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,26)(H,24,25).
What are the key properties of 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide?
4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide is sourced from PubChem (CID 112771581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).