4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide

C15H10Cl4INO2 — CID 5238898

IUPAC4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
SMILESO=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1
InChIInChI=1S/C15H10Cl4INO2/c16-10-3-7-12(8-4-10)23-14(15(17,18)19)21-13(22)9-1-5-11(20)6-2-9/h1-8,14H,(H,21,22)
InChIKeyCBCUDCQFBIVEMI-UHFFFAOYSA-N
MW504.97 g/mol
LogP5.45
Rot. Bonds4

About 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide

4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide (PubChem CID 5238898) has the molecular formula C15H10Cl4INO2 and a molecular weight of 504.97 g/mol. Its IUPAC name is 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
PubChem CID5238898
Molecular FormulaC15H10Cl4INO2
Molecular Weight504.97 g/mol
Exact Mass502.85
IUPAC Name4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
SMILESO=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1
InChIInChI=1S/C15H10Cl4INO2/c16-10-3-7-12(8-4-10)23-14(15(17,18)19)21-13(22)9-1-5-11(20)6-2-9/h1-8,14H,(H,21,22)
InChIKeyCBCUDCQFBIVEMI-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 55.45
H-Bond Donors ≤ 51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 12926281
4-bromo-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 3092433
N-[(1R)-1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 1243183
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 4117708
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
CID 3281338
N-[(1R)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide
CID 1203286
N-[1-[4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-2,2,2-trichloroethyl]-4-chlorobenzamide
CID 71952347
N-[(1S)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-3-methylbenzamide
CID 1345577
4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
CID 34255344
2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
CID 12926279
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
The IUPAC name of 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide (CID 5238898) is 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide is O=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
The InChIKey is CBCUDCQFBIVEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4INO2/c16-10-3-7-12(8-4-10)23-14(15(17,18)19)21-13(22)9-1-5-11(20)6-2-9/h1-8,14H,(H,21,22).
What are the key properties of 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide has a molecular weight of 504.97 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide is sourced from PubChem (CID 5238898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).