2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide

C17H14BrF3N2O3 — CID 52897026

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrF3N2O3/c18-11-5-7-12(8-6-11)23-15(24)9-26-14-4-2-1-3-13(14)16(25)22-10-17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChIKeyVJJSENSAXGXVMB-UHFFFAOYSA-N
MW431.21 g/mol
LogP3.76
Rot. Bonds6

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 52897026) has the molecular formula C17H14BrF3N2O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID52897026
Molecular FormulaC17H14BrF3N2O3
Molecular Weight431.21 g/mol
Exact Mass430.01
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(COc1ccccc1C(=O)NCC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrF3N2O3/c18-11-5-7-12(8-6-11)23-15(24)9-26-14-4-2-1-3-13(14)16(25)22-10-17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChIKeyVJJSENSAXGXVMB-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
[2-(benzylamino)-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 42965792
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide (CID 52897026) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide is O=C(COc1ccccc1C(=O)NCC(F)(F)F)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VJJSENSAXGXVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O3/c18-11-5-7-12(8-6-11)23-15(24)9-26-14-4-2-1-3-13(14)16(25)22-10-17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 431.21 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 52897026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).