N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide

C24H20F2N2O3 — CID 46099633

IUPACN-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1cc(F)ccc1F
InChIInChI=1S/C24H20F2N2O3/c1-15-7-10-22-20(11-15)27-23(31-22)14-28(13-16-12-17(25)8-9-19(16)26)24(29)18-5-3-4-6-21(18)30-2/h3-12H,13-14H2,1-2H3
InChIKeyRECXNTMCUZGWMV-UHFFFAOYSA-N
MW422.43 g/mol
LogP5.27
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide

N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide (PubChem CID 46099633) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
PubChem CID46099633
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1cc(F)ccc1F
InChIInChI=1S/C24H20F2N2O3/c1-15-7-10-22-20(11-15)27-23(31-22)14-28(13-16-12-17(25)8-9-19(16)26)24(29)18-5-3-4-6-21(18)30-2/h3-12H,13-14H2,1-2H3
InChIKeyRECXNTMCUZGWMV-UHFFFAOYSA-N
XLogP5.27
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
CID 46099634
2,4-dichloro-N-[(2,5-difluorophenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
CID 46099541
4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46099622
2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46099523
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
CID 46099550
N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 46099522
3-methyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46099521
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 46099599
3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46100582
(2R)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-phenylbutanamide
CID 92772681
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
2-(1,3-benzoxazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62919555

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide (CID 46099633) is N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide is COc1ccccc1C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
The InChIKey is RECXNTMCUZGWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c1-15-7-10-22-20(11-15)27-23(31-22)14-28(13-16-12-17(25)8-9-19(16)26)24(29)18-5-3-4-6-21(18)30-2/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide?
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide has a molecular weight of 422.43 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 46099633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).