N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide

C16H13Cl4NO2 — CID 15111116

IUPACN-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide
SMILESO=CNCC(OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl4NO2/c17-11-2-1-10(14(19)5-11)8-23-16(7-21-9-22)13-4-3-12(18)6-15(13)20/h1-6,9,16H,7-8H2,(H,21,22)
InChIKeyFNCVZCLFBSGWSC-UHFFFAOYSA-N
MW393.10 g/mol
LogP5.30
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide

N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide (PubChem CID 15111116) has the molecular formula C16H13Cl4NO2 and a molecular weight of 393.10 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide
PubChem CID15111116
Molecular FormulaC16H13Cl4NO2
Molecular Weight393.10 g/mol
Exact Mass390.97
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide
SMILESO=CNCC(OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl4NO2/c17-11-2-1-10(14(19)5-11)8-23-16(7-21-9-22)13-4-3-12(18)6-15(13)20/h1-6,9,16H,7-8H2,(H,21,22)
InChIKeyFNCVZCLFBSGWSC-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.10
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 156596799
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine;hydrochloride
CID 175674542
N-[(2,4-dichlorophenyl)methoxy]formamide
CID 19046665
2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene
CID 143164368
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-ethylimidazol-1-ium;chloride;dihydrochloride
CID 161296312
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine
CID 161434696
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride
CID 91982160
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
1-[2-[(2-chloro-4-methylphenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-3-prop-2-ynylimidazol-1-ium
CID 156642042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide (CID 15111116) is N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide is O=CNCC(OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide?
The InChIKey is FNCVZCLFBSGWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4NO2/c17-11-2-1-10(14(19)5-11)8-23-16(7-21-9-22)13-4-3-12(18)6-15(13)20/h1-6,9,16H,7-8H2,(H,21,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide?
N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide has a molecular weight of 393.10 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide is sourced from PubChem (CID 15111116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).