N-benzyl-2-[(4-bromobenzoyl)amino]benzamide

C21H17BrN2O2 — CID 17256451

IUPACN-benzyl-2-[(4-bromobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN2O2/c22-17-12-10-16(11-13-17)20(25)24-19-9-5-4-8-18(19)21(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyVIPGHYVRXDOVGS-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.63
Rot. Bonds5

About N-benzyl-2-[(4-bromobenzoyl)amino]benzamide

N-benzyl-2-[(4-bromobenzoyl)amino]benzamide (PubChem CID 17256451) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is N-benzyl-2-[(4-bromobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-bromobenzoyl)amino]benzamide
PubChem CID17256451
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC NameN-benzyl-2-[(4-bromobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN2O2/c22-17-12-10-16(11-13-17)20(25)24-19-9-5-4-8-18(19)21(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyVIPGHYVRXDOVGS-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-bromobenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-2-[(4-bromobenzoyl)amino]benzamide (CID 17256451) is N-benzyl-2-[(4-bromobenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-2-[(4-bromobenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-2-[(4-bromobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-[(4-bromobenzoyl)amino]benzamide?
The InChIKey is VIPGHYVRXDOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-17-12-10-16(11-13-17)20(25)24-19-9-5-4-8-18(19)21(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H,24,25).
What are the key properties of N-benzyl-2-[(4-bromobenzoyl)amino]benzamide?
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide has a molecular weight of 409.28 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-bromobenzoyl)amino]benzamide is sourced from PubChem (CID 17256451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).