2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

C16H12ClF4NO2 — CID 90497973

IUPAC2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClF4NO2/c17-13-8-11(18)6-7-12(13)14(23)22-9-15(24,16(19,20)21)10-4-2-1-3-5-10/h1-8,24H,9H2,(H,22,23)
InChIKeyXNANGEWRNOJZGY-UHFFFAOYSA-N
MW361.72 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 90497973) has the molecular formula C16H12ClF4NO2 and a molecular weight of 361.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
PubChem CID90497973
Molecular FormulaC16H12ClF4NO2
Molecular Weight361.72 g/mol
Exact Mass361.05
IUPAC Name2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClF4NO2/c17-13-8-11(18)6-7-12(13)14(23)22-9-15(24,16(19,20)21)10-4-2-1-3-5-10/h1-8,24H,9H2,(H,22,23)
InChIKeyXNANGEWRNOJZGY-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-nitro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498003
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
2-chloro-4-fluoro-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]benzamide
CID 90100360
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2-chloro-4-fluoro-N'-phenylbenzohydrazide
CID 78774979
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (CID 90497973) is 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is XNANGEWRNOJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4NO2/c17-13-8-11(18)6-7-12(13)14(23)22-9-15(24,16(19,20)21)10-4-2-1-3-5-10/h1-8,24H,9H2,(H,22,23).
What are the key properties of 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 361.72 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 90497973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).