2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide

C16H14Cl3FN2O — CID 2843811

IUPAC2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NC(Nc1ccccc1F)C(Cl)(Cl)Cl
InChIInChI=1S/C16H14Cl3FN2O/c1-10-6-2-3-7-11(10)14(23)22-15(16(17,18)19)21-13-9-5-4-8-12(13)20/h2-9,15,21H,1H3,(H,22,23)
InChIKeyHDUFOEGJRYWJSQ-UHFFFAOYSA-N
MW375.66 g/mol
LogP4.67
Rot. Bonds4

About 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide

2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide (PubChem CID 2843811) has the molecular formula C16H14Cl3FN2O and a molecular weight of 375.66 g/mol. Its IUPAC name is 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
PubChem CID2843811
Molecular FormulaC16H14Cl3FN2O
Molecular Weight375.66 g/mol
Exact Mass374.02
IUPAC Name2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NC(Nc1ccccc1F)C(Cl)(Cl)Cl
InChIInChI=1S/C16H14Cl3FN2O/c1-10-6-2-3-7-11(10)14(23)22-15(16(17,18)19)21-13-9-5-4-8-12(13)20/h2-9,15,21H,1H3,(H,22,23)
InChIKeyHDUFOEGJRYWJSQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.66
LogP ≤ 54.67
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

4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540
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
2-methyl-N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]benzamide
CID 3092480
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-2-methylbenzamide
CID 812854
2-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide
CID 2829994
N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]furan-2-carboxamide
CID 3104209
2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide
CID 7024765
2-methyl-N-[(1S)-2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2135183
2-methyl-N-[2,2,2-trichloro-1-[(2-hydroxyphenyl)carbamothioylamino]ethyl]benzamide
CID 2829996
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
1,1-dimethyl-3-[(1R)-2,2,2-trichloro-1-(2-methylanilino)ethyl]urea
CID 843404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide (CID 2843811) is 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide is Cc1ccccc1C(=O)NC(Nc1ccccc1F)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The InChIKey is HDUFOEGJRYWJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3FN2O/c1-10-6-2-3-7-11(10)14(23)22-15(16(17,18)19)21-13-9-5-4-8-12(13)20/h2-9,15,21H,1H3,(H,22,23).
What are the key properties of 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide has a molecular weight of 375.66 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide is sourced from PubChem (CID 2843811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).