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

C16H14Cl3NO3 — CID 12926279

IUPAC2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OC(NC(=O)c2ccccc2O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl3NO3/c1-10-6-8-11(9-7-10)23-15(16(17,18)19)20-14(22)12-4-2-3-5-13(12)21/h2-9,15,21H,1H3,(H,20,22)
InChIKeyRTGDDQRYJGVXDW-UHFFFAOYSA-N
MW374.65 g/mol
LogP4.21
Rot. Bonds4

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

2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide (PubChem CID 12926279) has the molecular formula C16H14Cl3NO3 and a molecular weight of 374.65 g/mol. Its IUPAC name is 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
PubChem CID12926279
Molecular FormulaC16H14Cl3NO3
Molecular Weight374.65 g/mol
Exact Mass373.00
IUPAC Name2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OC(NC(=O)c2ccccc2O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl3NO3/c1-10-6-8-11(9-7-10)23-15(16(17,18)19)20-14(22)12-4-2-3-5-13(12)21/h2-9,15,21H,1H3,(H,20,22)
InChIKeyRTGDDQRYJGVXDW-UHFFFAOYSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 54.21
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-chlorophenoxy)ethyl]benzamide
CID 12926281
N-[(1R)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide
CID 1203286
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 4117708
2-nitro-N-[(1R)-2,2,2-trichloro-1-phenoxyethyl]benzamide
CID 7036244
N-[(1S)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-3-methylbenzamide
CID 1345577
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-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 5238898
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
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide
CID 1105213

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide (CID 12926279) is 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OC(NC(=O)c2ccccc2O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is RTGDDQRYJGVXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO3/c1-10-6-8-11(9-7-10)23-15(16(17,18)19)20-14(22)12-4-2-3-5-13(12)21/h2-9,15,21H,1H3,(H,20,22).
What are the key properties of 2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide?
2-hydroxy-N-[2,2,2-trichloro-1-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 374.65 g/mol, XLogP of 4.21, 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-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 12926279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).