3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

C21H17BrN2O2 — CID 54790995

IUPAC3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C21H17BrN2O2/c22-17-9-4-8-16(13-17)21(26)24-19-11-5-10-18(14-19)23-20(25)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,23,25)(H,24,26)
InChIKeyOWWZKOPHHVDOIQ-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.88
Rot. Bonds5

About 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 54790995) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID54790995
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C21H17BrN2O2/c22-17-9-4-8-16(13-17)21(26)24-19-11-5-10-18(14-19)23-20(25)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,23,25)(H,24,26)
InChIKeyOWWZKOPHHVDOIQ-UHFFFAOYSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (CID 54790995) is 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is OWWZKOPHHVDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-17-9-4-8-16(13-17)21(26)24-19-11-5-10-18(14-19)23-20(25)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,23,25)(H,24,26).
What are the key properties of 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 409.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 54790995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).