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

C15H12Cl3FN2O — CID 1379486

IUPACN-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
SMILESO=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H12Cl3FN2O/c16-15(17,18)14(20-12-9-5-4-8-11(12)19)21-13(22)10-6-2-1-3-7-10/h1-9,14,20H,(H,21,22)/t14-/m1/s1
InChIKeyULLNTFLEEKYKQT-CQSZACIVSA-N
MW361.63 g/mol
LogP4.36
Rot. Bonds4

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

N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide (PubChem CID 1379486) has the molecular formula C15H12Cl3FN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
PubChem CID1379486
Molecular FormulaC15H12Cl3FN2O
Molecular Weight361.63 g/mol
Exact Mass360.00
IUPAC NameN-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
SMILESO=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H12Cl3FN2O/c16-15(17,18)14(20-12-9-5-4-8-11(12)19)21-13(22)10-6-2-1-3-7-10/h1-9,14,20H,(H,21,22)/t14-/m1/s1
InChIKeyULLNTFLEEKYKQT-CQSZACIVSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.36
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-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485
4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540
2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 2843811
N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]furan-2-carboxamide
CID 3104209
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2843465
N-(2,2,2-trichloro-1-formamidoethyl)benzamide
CID 134108818
3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 7060501
N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide
CID 123488159
3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
CID 134122688
N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
CID 3841401
3-nitro-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]benzamide
CID 3311482

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The IUPAC name of N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide (CID 1379486) is N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide is O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
The InChIKey is ULLNTFLEEKYKQT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12Cl3FN2O/c16-15(17,18)14(20-12-9-5-4-8-11(12)19)21-13(22)10-6-2-1-3-7-10/h1-9,14,20H,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide?
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide has a molecular weight of 361.63 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide is sourced from PubChem (CID 1379486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).