N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide

C27H23FN2O2 — CID 46045424

IUPACN-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
SMILESO=C(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C27H23FN2O2/c28-22-7-5-8-24(18-22)30-27(31)17-20-12-14-23(15-13-20)29-19-21-6-4-11-26(16-21)32-25-9-2-1-3-10-25/h1-16,18,29H,17,19H2,(H,30,31)
InChIKeyXSNALRIRBDOWPV-UHFFFAOYSA-N
MW426.49 g/mol
LogP6.41
Rot. Bonds8

About N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide

N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide (PubChem CID 46045424) has the molecular formula C27H23FN2O2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
PubChem CID46045424
Molecular FormulaC27H23FN2O2
Molecular Weight426.49 g/mol
Exact Mass426.17
IUPAC NameN-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
SMILESO=C(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C27H23FN2O2/c28-22-7-5-8-24(18-22)30-27(31)17-20-12-14-23(15-13-20)29-19-21-6-4-11-26(16-21)32-25-9-2-1-3-10-25/h1-16,18,29H,17,19H2,(H,30,31)
InChIKeyXSNALRIRBDOWPV-UHFFFAOYSA-N
XLogP6.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
CID 69011029
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide (CID 46045424) is N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide is O=C(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is XSNALRIRBDOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2/c28-22-7-5-8-24(18-22)30-27(31)17-20-12-14-23(15-13-20)29-19-21-6-4-11-26(16-21)32-25-9-2-1-3-10-25/h1-16,18,29H,17,19H2,(H,30,31).
What are the key properties of N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 46045424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).