N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide

C32H23ClFNO2 — CID 174538663

IUPACN-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)cc1)c1ccc(F)cc1O
InChIInChI=1S/C32H23ClFNO2/c33-29-14-8-7-13-28(29)32(22-9-3-1-4-10-22,23-11-5-2-6-12-23)24-15-18-26(19-16-24)35-31(37)27-20-17-25(34)21-30(27)36/h1-21,36H,(H,35,37)
InChIKeyOPPUFYQQGAPXFT-UHFFFAOYSA-N
MW507.99 g/mol
LogP7.82
Rot. Bonds6

About N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide

N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 174538663) has the molecular formula C32H23ClFNO2 and a molecular weight of 507.99 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide
PubChem CID174538663
Molecular FormulaC32H23ClFNO2
Molecular Weight507.99 g/mol
Exact Mass507.14
IUPAC NameN-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)cc1)c1ccc(F)cc1O
InChIInChI=1S/C32H23ClFNO2/c33-29-14-8-7-13-28(29)32(22-9-3-1-4-10-22,23-11-5-2-6-12-23)24-15-18-26(19-16-24)35-31(37)27-20-17-25(34)21-30(27)36/h1-21,36H,(H,35,37)
InChIKeyOPPUFYQQGAPXFT-UHFFFAOYSA-N
XLogP7.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.99
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 154751012
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide (CID 174538663) is N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide is O=C(Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)cc1)c1ccc(F)cc1O.
What is the InChIKey of N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is OPPUFYQQGAPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23ClFNO2/c33-29-14-8-7-13-28(29)32(22-9-3-1-4-10-22,23-11-5-2-6-12-23)24-15-18-26(19-16-24)35-31(37)27-20-17-25(34)21-30(27)36/h1-21,36H,(H,35,37).
What are the key properties of N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide?
N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 507.99 g/mol, XLogP of 7.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 174538663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).