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

C15H9Cl7N2O — CID 134122688

IUPAC3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
SMILESO=C(NC(Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl7N2O/c16-8-5-4-7(6-10(8)18)13(25)24-14(15(20,21)22)23-11-3-1-2-9(17)12(11)19/h1-6,14,23H,(H,24,25)
InChIKeyAJCJKIOESWRURD-UHFFFAOYSA-N
MW481.42 g/mol
LogP6.84
Rot. Bonds4

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

3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide (PubChem CID 134122688) has the molecular formula C15H9Cl7N2O and a molecular weight of 481.42 g/mol. Its IUPAC name is 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
PubChem CID134122688
Molecular FormulaC15H9Cl7N2O
Molecular Weight481.42 g/mol
Exact Mass477.85
IUPAC Name3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
SMILESO=C(NC(Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl7N2O/c16-8-5-4-7(6-10(8)18)13(25)24-14(15(20,21)22)23-11-3-1-2-9(17)12(11)19/h1-6,14,23H,(H,24,25)
InChIKeyAJCJKIOESWRURD-UHFFFAOYSA-N
XLogP6.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-nitro-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]benzamide
CID 3311482
3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide
CID 134122685
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379486
N-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485
4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540
2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide
CID 3092639
4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2843465
[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid
CID 24866779
3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
CID 100628080
N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]acetamide
CID 3089981
2-methyl-N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]benzamide
CID 3092480

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide (CID 134122688) is 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide is O=C(NC(Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide?
The InChIKey is AJCJKIOESWRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl7N2O/c16-8-5-4-7(6-10(8)18)13(25)24-14(15(20,21)22)23-11-3-1-2-9(17)12(11)19/h1-6,14,23H,(H,24,25).
What are the key properties of 3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide?
3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide has a molecular weight of 481.42 g/mol, XLogP of 6.84, 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-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide is sourced from PubChem (CID 134122688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).