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

C15H11Cl4NO3 — CID 12926281

IUPAC2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
SMILESO=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1O
InChIInChI=1S/C15H11Cl4NO3/c16-9-5-7-10(8-6-9)23-14(15(17,18)19)20-13(22)11-3-1-2-4-12(11)21/h1-8,14,21H,(H,20,22)
InChIKeyQGZFTIJWNIVPNA-UHFFFAOYSA-N
MW395.07 g/mol
LogP4.55
Rot. Bonds4

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

2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide (PubChem CID 12926281) has the molecular formula C15H11Cl4NO3 and a molecular weight of 395.07 g/mol. Its IUPAC name is 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
PubChem CID12926281
Molecular FormulaC15H11Cl4NO3
Molecular Weight395.07 g/mol
Exact Mass392.95
IUPAC Name2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
SMILESO=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1O
InChIInChI=1S/C15H11Cl4NO3/c16-9-5-7-10(8-6-9)23-14(15(17,18)19)20-13(22)11-3-1-2-4-12(11)21/h1-8,14,21H,(H,20,22)
InChIKeyQGZFTIJWNIVPNA-UHFFFAOYSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.07
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
CID 12926279
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 4117708
4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 5238898
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
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
2-nitro-N-[(1R)-2,2,2-trichloro-1-phenoxyethyl]benzamide
CID 7036244
2-hydroxy-N-[2,2,2-trichloro-1-(3-chloropropoxy)ethyl]benzamide
CID 13390571
1,3-bis(2,2,2-trichloro-1-phenoxyethyl)urea
CID 2834303
4-bromo-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 3092433
N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]thiophene-2-carboxamide
CID 45125850
N-[(1R)-1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 1243183

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide (CID 12926281) is 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide is O=C(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
The InChIKey is QGZFTIJWNIVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO3/c16-9-5-7-10(8-6-9)23-14(15(17,18)19)20-13(22)11-3-1-2-4-12(11)21/h1-8,14,21H,(H,20,22).
What are the key properties of 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide?
2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide has a molecular weight of 395.07 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide is sourced from PubChem (CID 12926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).