[3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate

C22H17F2NO4 — CID 58531423

IUPAC[3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate
SMILESO=COCc1cc(Oc2ccc(F)cc2)cc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C22H17F2NO4/c23-18-3-1-15(2-4-18)12-25-22(27)17-9-16(13-28-14-26)10-21(11-17)29-20-7-5-19(24)6-8-20/h1-11,14H,12-13H2,(H,25,27)
InChIKeyRPZRZTPLRUFZPC-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.36
Rot. Bonds8

About [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate

[3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate (PubChem CID 58531423) has the molecular formula C22H17F2NO4 and a molecular weight of 397.38 g/mol. Its IUPAC name is [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate.

Molecular Properties

Compound Name[3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate
PubChem CID58531423
Molecular FormulaC22H17F2NO4
Molecular Weight397.38 g/mol
Exact Mass397.11
IUPAC Name[3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate
SMILESO=COCc1cc(Oc2ccc(F)cc2)cc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C22H17F2NO4/c23-18-3-1-15(2-4-18)12-25-22(27)17-9-16(13-28-14-26)10-21(11-17)29-20-7-5-19(24)6-8-20/h1-11,14H,12-13H2,(H,25,27)
InChIKeyRPZRZTPLRUFZPC-UHFFFAOYSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 71919015
[3-(4-fluorophenoxy)-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methylcarbamic acid
CID 66616632
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 31710504
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
CID 78915403
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843734
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate?
The IUPAC name of [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate (CID 58531423) is [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate.
What is the SMILES notation for [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate?
The canonical SMILES for [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate is O=COCc1cc(Oc2ccc(F)cc2)cc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate?
The InChIKey is RPZRZTPLRUFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO4/c23-18-3-1-15(2-4-18)12-25-22(27)17-9-16(13-28-14-26)10-21(11-17)29-20-7-5-19(24)6-8-20/h1-11,14H,12-13H2,(H,25,27).
What are the key properties of [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate?
[3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate has a molecular weight of 397.38 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenoxy)-5-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl formate is sourced from PubChem (CID 58531423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).