3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide

C15H15Br2N3O — CID 107596572

IUPAC3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Nc2c(Br)cccc2Br)c(N)c1
InChIInChI=1S/C15H15Br2N3O/c1-2-19-15(21)9-6-7-13(12(18)8-9)20-14-10(16)4-3-5-11(14)17/h3-8,20H,2,18H2,1H3,(H,19,21)
InChIKeyZYOKRYAXVCEGTM-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.29
Rot. Bonds4

About 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide

3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide (PubChem CID 107596572) has the molecular formula C15H15Br2N3O and a molecular weight of 413.11 g/mol. Its IUPAC name is 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
PubChem CID107596572
Molecular FormulaC15H15Br2N3O
Molecular Weight413.11 g/mol
Exact Mass410.96
IUPAC Name3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Nc2c(Br)cccc2Br)c(N)c1
InChIInChI=1S/C15H15Br2N3O/c1-2-19-15(21)9-6-7-13(12(18)8-9)20-14-10(16)4-3-5-11(14)17/h3-8,20H,2,18H2,1H3,(H,19,21)
InChIKeyZYOKRYAXVCEGTM-UHFFFAOYSA-N
XLogP4.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3-bromo-2-methylanilino)-N-ethylbenzamide
CID 107633752
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
CID 82990987
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide (CID 107596572) is 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide is CCNC(=O)c1ccc(Nc2c(Br)cccc2Br)c(N)c1.
What is the InChIKey of 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide?
The InChIKey is ZYOKRYAXVCEGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O/c1-2-19-15(21)9-6-7-13(12(18)8-9)20-14-10(16)4-3-5-11(14)17/h3-8,20H,2,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide?
3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide is sourced from PubChem (CID 107596572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).