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

C16H14Cl3FN2O — CID 1379540

IUPAC4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl3FN2O/c1-10-6-8-11(9-7-10)14(23)22-15(16(17,18)19)21-13-5-3-2-4-12(13)20/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1
InChIKeyLXGFOVYAJYIJAP-OAHLLOKOSA-N
MW375.66 g/mol
LogP4.67
Rot. Bonds4

About 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide

4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide (PubChem CID 1379540) has the molecular formula C16H14Cl3FN2O and a molecular weight of 375.66 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
PubChem CID1379540
Molecular FormulaC16H14Cl3FN2O
Molecular Weight375.66 g/mol
Exact Mass374.02
IUPAC Name4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl3FN2O/c1-10-6-8-11(9-7-10)14(23)22-15(16(17,18)19)21-13-5-3-2-4-12(13)20/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1
InChIKeyLXGFOVYAJYIJAP-OAHLLOKOSA-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

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
4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2843465
2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 2843811
4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 30467509
N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]furan-2-carboxamide
CID 3104209
4-bromo-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
CID 3090269
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
CID 92846944
3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 7060501
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
4-methyl-N-[(1R)-2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 2305777
4-methyl-N-[2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 5196273

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide (CID 1379540) is 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide is Cc1ccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The InChIKey is LXGFOVYAJYIJAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl3FN2O/c1-10-6-8-11(9-7-10)14(23)22-15(16(17,18)19)21-13-5-3-2-4-12(13)20/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
4-methyl-N-[(1R)-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 4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide is sourced from PubChem (CID 1379540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).