4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide

C21H15BrClNO3 — CID 19644940

IUPAC4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15BrClNO3/c22-16-8-4-15(5-9-16)21(26)24-18-2-1-3-19(12-18)27-13-20(25)14-6-10-17(23)11-7-14/h1-12H,13H2,(H,24,26)
InChIKeyZXHVCVGTGUDDLF-UHFFFAOYSA-N
MW444.71 g/mol
LogP5.62
Rot. Bonds6

About 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide

4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide (PubChem CID 19644940) has the molecular formula C21H15BrClNO3 and a molecular weight of 444.71 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
PubChem CID19644940
Molecular FormulaC21H15BrClNO3
Molecular Weight444.71 g/mol
Exact Mass442.99
IUPAC Name4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15BrClNO3/c22-16-8-4-15(5-9-16)21(26)24-18-2-1-3-19(12-18)27-13-20(25)14-6-10-17(23)11-7-14/h1-12H,13H2,(H,24,26)
InChIKeyZXHVCVGTGUDDLF-UHFFFAOYSA-N
XLogP5.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide
CID 1218497
4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
CID 19645276
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide (CID 19644940) is 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide is O=C(COc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is ZXHVCVGTGUDDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClNO3/c22-16-8-4-15(5-9-16)21(26)24-18-2-1-3-19(12-18)27-13-20(25)14-6-10-17(23)11-7-14/h1-12H,13H2,(H,24,26).
What are the key properties of 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 444.71 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 19644940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).