N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide

C21H18BrN3O2 — CID 54840105

IUPACN-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(Br)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H18BrN3O2/c22-16-8-4-9-17(12-16)23-14-20(26)24-18-10-5-11-19(13-18)25-21(27)15-6-2-1-3-7-15/h1-13,23H,14H2,(H,24,26)(H,25,27)
InChIKeyZIBZWVSJFGOIOO-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.75
Rot. Bonds6

About N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54840105) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
PubChem CID54840105
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC NameN-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(Br)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H18BrN3O2/c22-16-8-4-9-17(12-16)23-14-20(26)24-18-10-5-11-19(13-18)25-21(27)15-6-2-1-3-7-15/h1-13,23H,14H2,(H,24,26)(H,25,27)
InChIKeyZIBZWVSJFGOIOO-UHFFFAOYSA-N
XLogP4.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide (CID 54840105) is N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide is O=C(CNc1cccc(Br)c1)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is ZIBZWVSJFGOIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c22-16-8-4-9-17(12-16)23-14-20(26)24-18-10-5-11-19(13-18)25-21(27)15-6-2-1-3-7-15/h1-13,23H,14H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 424.30 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54840105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).