2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide

C27H20F2N2O3 — CID 134113957

IUPAC2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCc2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C27H20F2N2O3/c28-22-12-7-13-23(29)25(22)26(32)31-27(33)30-20-14-15-24(34-17-18-8-3-1-4-9-18)21(16-20)19-10-5-2-6-11-19/h1-16H,17H2,(H2,30,31,32,33)
InChIKeyZKFIWSICZQHSKI-UHFFFAOYSA-N
MW458.46 g/mol
LogP6.17
Rot. Bonds6

About 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide

2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide (PubChem CID 134113957) has the molecular formula C27H20F2N2O3 and a molecular weight of 458.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
PubChem CID134113957
Molecular FormulaC27H20F2N2O3
Molecular Weight458.46 g/mol
Exact Mass458.14
IUPAC Name2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCc2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C27H20F2N2O3/c28-22-12-7-13-23(29)25(22)26(32)31-27(33)30-20-14-15-24(34-17-18-8-3-1-4-9-18)21(16-20)19-10-5-2-6-11-19/h1-16H,17H2,(H2,30,31,32,33)
InChIKeyZKFIWSICZQHSKI-UHFFFAOYSA-N
XLogP6.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70401584
N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134088408
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
2,6-difluoro-N-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 3036753
2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134097670
N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide (CID 134113957) is 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCc2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
The InChIKey is ZKFIWSICZQHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2O3/c28-22-12-7-13-23(29)25(22)26(32)31-27(33)30-20-14-15-24(34-17-18-8-3-1-4-9-18)21(16-20)19-10-5-2-6-11-19/h1-16H,17H2,(H2,30,31,32,33).
What are the key properties of 2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide has a molecular weight of 458.46 g/mol, XLogP of 6.17, 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-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 134113957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).