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

C21H15Cl2NO3 — CID 19644954

IUPAC2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NO3/c22-15-7-5-14(6-8-15)20(25)13-27-17-11-9-16(10-12-17)24-21(26)18-3-1-2-4-19(18)23/h1-12H,13H2,(H,24,26)
InChIKeyWMVFNQMPQCIDHF-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.51
Rot. Bonds6

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

2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide (PubChem CID 19644954) has the molecular formula C21H15Cl2NO3 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
PubChem CID19644954
Molecular FormulaC21H15Cl2NO3
Molecular Weight400.26 g/mol
Exact Mass399.04
IUPAC Name2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NO3/c22-15-7-5-14(6-8-15)20(25)13-27-17-11-9-16(10-12-17)24-21(26)18-3-1-2-4-19(18)23/h1-12H,13H2,(H,24,26)
InChIKeyWMVFNQMPQCIDHF-UHFFFAOYSA-N
XLogP5.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19645200
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 22684313
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
1-(4-phenacyloxyphenyl)-3-phenylurea
CID 172640057
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide (CID 19644954) is 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide is O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is WMVFNQMPQCIDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO3/c22-15-7-5-14(6-8-15)20(25)13-27-17-11-9-16(10-12-17)24-21(26)18-3-1-2-4-19(18)23/h1-12H,13H2,(H,24,26).
What are the key properties of 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide?
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 400.26 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 19644954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).