[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium

C25H25F2N2O4+ — CID 2514338

IUPAC[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C25H24F2N2O4/c1-29(15-17-12-13-21(33-25(26)27)22(14-17)32-2)16-23(30)28-20-11-7-6-10-19(20)24(31)18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3,(H,28,30)/p+1
InChIKeySCRDPVCNUAKPIC-UHFFFAOYSA-O
MW455.48 g/mol
LogP3.18
Rot. Bonds10

About [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium

[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium (PubChem CID 2514338) has the molecular formula C25H25F2N2O4+ and a molecular weight of 455.48 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
PubChem CID2514338
Molecular FormulaC25H25F2N2O4+
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C25H24F2N2O4/c1-29(15-17-12-13-21(33-25(26)27)22(14-17)32-2)16-23(30)28-20-11-7-6-10-19(20)24(31)18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3,(H,28,30)/p+1
InChIKeySCRDPVCNUAKPIC-UHFFFAOYSA-O
XLogP3.18
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium with MolForge

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 2657779
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 2512023
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium
CID 2508598
[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2113876
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583964
2-[3-[3,4-bis(difluoromethoxy)phenyl]propanoylamino]benzoic acid
CID 135191375
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium (CID 2514338) is [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium is COc1cc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium?
The InChIKey is SCRDPVCNUAKPIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H24F2N2O4/c1-29(15-17-12-13-21(33-25(26)27)22(14-17)32-2)16-23(30)28-20-11-7-6-10-19(20)24(31)18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3,(H,28,30)/p+1.
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium?
[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium has a molecular weight of 455.48 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium is sourced from PubChem (CID 2514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).