2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide

C21H18BrN3O2 — CID 71904660

IUPAC2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C21H18BrN3O2/c22-17-11-5-7-13-19(17)25-20(26)14-23-21(27)16-10-4-6-12-18(16)24-15-8-2-1-3-9-15/h1-13,24H,14H2,(H,23,27)(H,25,26)
InChIKeyRUDYSRRVNRXCEV-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.56
Rot. Bonds6

About 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide

2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide (PubChem CID 71904660) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
PubChem CID71904660
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C21H18BrN3O2/c22-17-11-5-7-13-19(17)25-20(26)14-23-21(27)16-10-4-6-12-18(16)24-15-8-2-1-3-9-15/h1-13,24H,14H2,(H,23,27)(H,25,26)
InChIKeyRUDYSRRVNRXCEV-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9089633
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide (CID 71904660) is 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1Br.
What is the InChIKey of 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide?
The InChIKey is RUDYSRRVNRXCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c22-17-11-5-7-13-19(17)25-20(26)14-23-21(27)16-10-4-6-12-18(16)24-15-8-2-1-3-9-15/h1-13,24H,14H2,(H,23,27)(H,25,26).
What are the key properties of 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide?
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide has a molecular weight of 424.30 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 71904660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).