N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide

C23H18F2N2O3 — CID 86764080

IUPACN-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
SMILESCCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)oc(=O)n2C
InChIInChI=1S/C23H18F2N2O3/c1-3-13-11-19-20(30-23(29)27(19)2)12-16(13)14-7-9-15(10-8-14)26-22(28)21-17(24)5-4-6-18(21)25/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeyFVMHYCTZMBAJFT-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.89
Rot. Bonds4

About N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide

N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 86764080) has the molecular formula C23H18F2N2O3 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
PubChem CID86764080
Molecular FormulaC23H18F2N2O3
Molecular Weight408.40 g/mol
Exact Mass408.13
IUPAC NameN-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
SMILESCCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)oc(=O)n2C
InChIInChI=1S/C23H18F2N2O3/c1-3-13-11-19-20(30-23(29)27(19)2)12-16(13)14-7-9-15(10-8-14)26-22(28)21-17(24)5-4-6-18(21)25/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeyFVMHYCTZMBAJFT-UHFFFAOYSA-N
XLogP4.89
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
CID 86763757
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763409
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 86881850
6-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-3,4-dimethyl-1,3-benzoxazol-2-one
CID 147728778
N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide
CID 86764962
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide (CID 86764080) is N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide is CCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)oc(=O)n2C.
What is the InChIKey of N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is FVMHYCTZMBAJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3/c1-3-13-11-19-20(30-23(29)27(19)2)12-16(13)14-7-9-15(10-8-14)26-22(28)21-17(24)5-4-6-18(21)25/h4-12H,3H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide?
N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide has a molecular weight of 408.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86764080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).