2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide

C15H11Cl4NO2 — CID 4117708

IUPAC2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
SMILESO=C(NC(Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl4NO2/c16-12-9-5-4-8-11(12)13(21)20-14(15(17,18)19)22-10-6-2-1-3-7-10/h1-9,14H,(H,20,21)
InChIKeyRRSNTDNFBSFRAC-UHFFFAOYSA-N
MW379.07 g/mol
LogP4.85
Rot. Bonds4

About 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide

2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide (PubChem CID 4117708) has the molecular formula C15H11Cl4NO2 and a molecular weight of 379.07 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
PubChem CID4117708
Molecular FormulaC15H11Cl4NO2
Molecular Weight379.07 g/mol
Exact Mass376.95
IUPAC Name2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
SMILESO=C(NC(Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl4NO2/c16-12-9-5-4-8-11(12)13(21)20-14(15(17,18)19)22-10-6-2-1-3-7-10/h1-9,14H,(H,20,21)
InChIKeyRRSNTDNFBSFRAC-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.07
LogP ≤ 54.85
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'}

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Related Compounds

2-hydroxy-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 12926281
2-nitro-N-[(1R)-2,2,2-trichloro-1-phenoxyethyl]benzamide
CID 7036244
1,3-bis(2,2,2-trichloro-1-phenoxyethyl)urea
CID 2834303
2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
CID 12926279
4-bromo-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 3092433
N-[(1R)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide
CID 1203286
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 3574843
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
CID 3281338
benzyl N-[(1S)-2,2,2-trichloro-1-phenoxyethyl]carbamate
CID 1101103
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
N-[(1S)-2,2,2-trichloro-1-phenoxyethyl]heptanamide
CID 7038293
N-(2,2,2-trichloro-1-phenoxyethyl)octanamide
CID 3118267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide?
The IUPAC name of 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide (CID 4117708) is 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide is O=C(NC(Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide?
The InChIKey is RRSNTDNFBSFRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO2/c16-12-9-5-4-8-11(12)13(21)20-14(15(17,18)19)22-10-6-2-1-3-7-10/h1-9,14H,(H,20,21).
What are the key properties of 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide?
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide has a molecular weight of 379.07 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide is sourced from PubChem (CID 4117708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).