3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide

C21H17BrN2O2 — CID 2844876

IUPAC3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-14-5-7-15(8-6-14)20(25)23-18-9-11-19(12-10-18)24-21(26)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyABOIDUUTAWJAAP-UHFFFAOYSA-N
MW409.28 g/mol
LogP5.26
Rot. Bonds4

About 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide

3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 2844876) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
PubChem CID2844876
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-14-5-7-15(8-6-14)20(25)23-18-9-11-19(12-10-18)24-21(26)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyABOIDUUTAWJAAP-UHFFFAOYSA-N
XLogP5.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
3-bromo-N-(4-methylphenyl)benzenecarbothioamide
CID 3001420
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide (CID 2844876) is 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1.
What is the InChIKey of 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is ABOIDUUTAWJAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-14-5-7-15(8-6-14)20(25)23-18-9-11-19(12-10-18)24-21(26)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide?
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide has a molecular weight of 409.28 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 2844876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).