3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide

C15H9Cl4F3N2O — CID 134122685

IUPAC3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide
SMILESO=C(NC(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl4F3N2O/c16-9-3-1-7(5-11(9)18)13(25)24-14(15(20,21)22)23-8-2-4-10(17)12(19)6-8/h1-6,14,23H,(H,24,25)
InChIKeySSNYZYCNYFNJLU-UHFFFAOYSA-N
MW432.06 g/mol
LogP6.03
Rot. Bonds4

About 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide

3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide (PubChem CID 134122685) has the molecular formula C15H9Cl4F3N2O and a molecular weight of 432.06 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide
PubChem CID134122685
Molecular FormulaC15H9Cl4F3N2O
Molecular Weight432.06 g/mol
Exact Mass429.94
IUPAC Name3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide
SMILESO=C(NC(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl4F3N2O/c16-9-3-1-7(5-11(9)18)13(25)24-14(15(20,21)22)23-8-2-4-10(17)12(19)6-8/h1-6,14,23H,(H,24,25)
InChIKeySSNYZYCNYFNJLU-UHFFFAOYSA-N
XLogP6.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.06
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide
CID 134118036
3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
CID 134122688
N-[2,2,2-trichloro-1-[3-chloro-4-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 3127857
4-chloro-N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 3958463
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide (CID 134122685) is 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide is O=C(NC(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide?
The InChIKey is SSNYZYCNYFNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4F3N2O/c16-9-3-1-7(5-11(9)18)13(25)24-14(15(20,21)22)23-8-2-4-10(17)12(19)6-8/h1-6,14,23H,(H,24,25).
What are the key properties of 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide?
3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide has a molecular weight of 432.06 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide is sourced from PubChem (CID 134122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).