N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C26H26FN3O5 — CID 3904974

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26FN3O5/c1-34-22-11-5-19(6-12-22)26(33)30(16-18-3-7-20(27)8-4-18)17-25(32)28-15-24(31)29-21-9-13-23(35-2)14-10-21/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyOUXDACXXSIBJRM-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.24
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 3904974) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID3904974
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26FN3O5/c1-34-22-11-5-19(6-12-22)26(33)30(16-18-3-7-20(27)8-4-18)17-25(32)28-15-24(31)29-21-9-13-23(35-2)14-10-21/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyOUXDACXXSIBJRM-UHFFFAOYSA-N
XLogP3.24
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4044086
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3498631
2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4991756
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5192936
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 3252705
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[4-[4-(4-methylbenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]benzamide
CID 42676324
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 3451600
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
N-[(4-fluorophenyl)methyl]-3,4,5-trimethoxy-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5217204

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 3904974) is N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is OUXDACXXSIBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-34-22-11-5-19(6-12-22)26(33)30(16-18-3-7-20(27)8-4-18)17-25(32)28-15-24(31)29-21-9-13-23(35-2)14-10-21/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 479.51 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3904974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).