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

C23H20F2N2O3 — CID 20524560

IUPAC2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
SMILESCC(COc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccccc1
InChIInChI=1S/C23H20F2N2O3/c1-15(16-6-3-2-4-7-16)14-30-18-12-10-17(11-13-18)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)
InChIKeyHXZNFCUKXCSAOU-UHFFFAOYSA-N
MW410.42 g/mol
LogP5.11
Rot. Bonds6

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

2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide (PubChem CID 20524560) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
PubChem CID20524560
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
SMILESCC(COc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccccc1
InChIInChI=1S/C23H20F2N2O3/c1-15(16-6-3-2-4-7-16)14-30-18-12-10-17(11-13-18)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)
InChIKeyHXZNFCUKXCSAOU-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675
2,6-difluoro-N-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 3036753
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-methoxyphenyl)carbamoyl]benzamide
CID 15740316
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2,6-difluorobenzoate
CID 7725700
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid
CID 66812487

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide (CID 20524560) is 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide is CC(COc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccccc1.
What is the InChIKey of 2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide?
The InChIKey is HXZNFCUKXCSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-15(16-6-3-2-4-7-16)14-30-18-12-10-17(11-13-18)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-(2-phenylpropoxy)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide has a molecular weight of 410.42 g/mol, XLogP of 5.11, 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-(2-phenylpropoxy)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 20524560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).