2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

C25H26FN3O4 — CID 17426103

IUPAC2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C25H26FN3O4/c1-29(15-17-8-13-23(33-3)21(26)14-17)16-24(30)28-22-7-5-4-6-20(22)25(31)27-18-9-11-19(32-2)12-10-18/h4-14H,15-16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyPOTNJLLQZGSFAD-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.17
Rot. Bonds9

About 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 17426103) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID17426103
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C25H26FN3O4/c1-29(15-17-8-13-23(33-3)21(26)14-17)16-24(30)28-22-7-5-4-6-20(22)25(31)27-18-9-11-19(32-2)12-10-18/h4-14H,15-16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyPOTNJLLQZGSFAD-UHFFFAOYSA-N
XLogP4.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 33191747
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 18196329
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
propan-2-yl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9432650

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 17426103) is 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is POTNJLLQZGSFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-29(15-17-8-13-23(33-3)21(26)14-17)16-24(30)28-22-7-5-4-6-20(22)25(31)27-18-9-11-19(32-2)12-10-18/h4-14H,15-16H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 451.50 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 17426103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).