3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide

C21H13Cl4NO3 — CID 19645200

IUPAC3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl4NO3/c22-13-2-7-16(18(24)10-13)20(27)11-29-15-5-3-14(4-6-15)26-21(28)12-1-8-17(23)19(25)9-12/h1-10H,11H2,(H,26,28)
InChIKeyVUZUHNWSQPWWMT-UHFFFAOYSA-N
MW469.15 g/mol
LogP6.81
Rot. Bonds6

About 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide

3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide (PubChem CID 19645200) has the molecular formula C21H13Cl4NO3 and a molecular weight of 469.15 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
PubChem CID19645200
Molecular FormulaC21H13Cl4NO3
Molecular Weight469.15 g/mol
Exact Mass466.96
IUPAC Name3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl4NO3/c22-13-2-7-16(18(24)10-13)20(27)11-29-15-5-3-14(4-6-15)26-21(28)12-1-8-17(23)19(25)9-12/h1-10H,11H2,(H,26,28)
InChIKeyVUZUHNWSQPWWMT-UHFFFAOYSA-N
XLogP6.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.15
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644954
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23098450
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide (CID 19645200) is 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide is O=C(Nc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is VUZUHNWSQPWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl4NO3/c22-13-2-7-16(18(24)10-13)20(27)11-29-15-5-3-14(4-6-15)26-21(28)12-1-8-17(23)19(25)9-12/h1-10H,11H2,(H,26,28).
What are the key properties of 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide?
3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 469.15 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 19645200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).