N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide

C21H18FNO2 — CID 167513611

IUPACN-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(F)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c1-23(15-24)21-12-9-18(22)13-20(21)17-7-10-19(11-8-17)25-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
InChIKeyBECBQUBDRPTKRJ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.66
Rot. Bonds6

About N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide

N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide (PubChem CID 167513611) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide
PubChem CID167513611
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC NameN-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(F)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c1-23(15-24)21-12-9-18(22)13-20(21)17-7-10-19(11-8-17)25-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
InChIKeyBECBQUBDRPTKRJ-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
CID 70007811
2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene
CID 91474034
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
methyl 3-[[4-(2,4-difluorophenyl)phenoxy]methyl]benzoate
CID 67150363
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
N-methyl-N-[1-(4-phenylmethoxyphenyl)cyclohexyl]formamide
CID 87957144
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide (CID 167513611) is N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide is CN(C=O)c1ccc(F)cc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide?
The InChIKey is BECBQUBDRPTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-23(15-24)21-12-9-18(22)13-20(21)17-7-10-19(11-8-17)25-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3.
What are the key properties of N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide?
N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide has a molecular weight of 335.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide is sourced from PubChem (CID 167513611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).