2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide

C23H20F2N2O3 — CID 70575675

IUPAC2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
SMILESCC(OCc1ccccc1)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H20F2N2O3/c1-15(30-14-16-6-3-2-4-7-16)17-10-12-18(13-11-17)26-23(29)27-22(28)21-19(24)8-5-9-20(21)25/h2-13,15H,14H2,1H3,(H2,26,27,28,29)
InChIKeyYTUMNQISTZSJFD-UHFFFAOYSA-N
MW410.42 g/mol
LogP5.20
Rot. Bonds6

About 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide (PubChem CID 70575675) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
PubChem CID70575675
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
SMILESCC(OCc1ccccc1)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H20F2N2O3/c1-15(30-14-16-6-3-2-4-7-16)17-10-12-18(13-11-17)26-23(29)27-22(28)21-19(24)8-5-9-20(21)25/h2-13,15H,14H2,1H3,(H2,26,27,28,29)
InChIKeyYTUMNQISTZSJFD-UHFFFAOYSA-N
XLogP5.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524560
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-[[4-[[(Z)-[1-(4-chlorophenyl)-2-methylpropylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88676124
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88671840
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
2,6-difluoro-N-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 3036753
N-[[4-[[1-(4-chlorophenyl)but-1-enylamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 57320590

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide (CID 70575675) is 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide is CC(OCc1ccccc1)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide?
The InChIKey is YTUMNQISTZSJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-15(30-14-16-6-3-2-4-7-16)17-10-12-18(13-11-17)26-23(29)27-22(28)21-19(24)8-5-9-20(21)25/h2-13,15H,14H2,1H3,(H2,26,27,28,29).
What are the key properties of 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide has a molecular weight of 410.42 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 70575675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).