3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide

C15H14BrN3O2 — CID 54842256

IUPAC3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-12-6-1-2-7-13(12)19-14(20)9-18-11-5-3-4-10(8-11)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyAWQHAXCRLXYRRT-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.60
Rot. Bonds5

About 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide

3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54842256) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
PubChem CID54842256
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-12-6-1-2-7-13(12)19-14(20)9-18-11-5-3-4-10(8-11)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20)
InChIKeyAWQHAXCRLXYRRT-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
CID 108956143

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide (CID 54842256) is 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide is NC(=O)c1cccc(NCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is AWQHAXCRLXYRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-12-6-1-2-7-13(12)19-14(20)9-18-11-5-3-4-10(8-11)15(17)21/h1-8,18H,9H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide?
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 348.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).