N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide

C23H21F2NO4 — CID 561349

IUPACN-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide
SMILESO=CNCC(O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F
InChIInChI=1S/C23H21F2NO4/c24-19-11-18(20(28)12-26-15-27)21(25)23(30-14-17-9-5-2-6-10-17)22(19)29-13-16-7-3-1-4-8-16/h1-11,15,20,28H,12-14H2,(H,26,27)
InChIKeyJAJOIXIKMZBHRV-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.90
Rot. Bonds10

About N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide

N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide (PubChem CID 561349) has the molecular formula C23H21F2NO4 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide.

Molecular Properties

Compound NameN-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide
PubChem CID561349
Molecular FormulaC23H21F2NO4
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC NameN-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide
SMILESO=CNCC(O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F
InChIInChI=1S/C23H21F2NO4/c24-19-11-18(20(28)12-26-15-27)21(25)23(30-14-17-9-5-2-6-10-17)22(19)29-13-16-7-3-1-4-8-16/h1-11,15,20,28H,12-14H2,(H,26,27)
InChIKeyJAJOIXIKMZBHRV-UHFFFAOYSA-N
XLogP3.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(2-iodo-4-methoxy-5-phenylmethoxyphenyl)ethyl]formamide
CID 23258951
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
4-formamido-3-methyl-2-phenylmethoxybutanoic acid
CID 174622466
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
2,6-difluoro-3,4-bis(phenylmethoxy)-5-propan-2-yloxybenzoic acid
CID 166479784
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide?
The IUPAC name of N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide (CID 561349) is N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide.
What is the SMILES notation for N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide?
The canonical SMILES for N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide is O=CNCC(O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F.
What is the InChIKey of N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide?
The InChIKey is JAJOIXIKMZBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO4/c24-19-11-18(20(28)12-26-15-27)21(25)23(30-14-17-9-5-2-6-10-17)22(19)29-13-16-7-3-1-4-8-16/h1-11,15,20,28H,12-14H2,(H,26,27).
What are the key properties of N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide?
N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide has a molecular weight of 413.42 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,5-difluoro-3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]formamide is sourced from PubChem (CID 561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).