2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide

C24H23F2N3O3 — CID 27218006

IUPAC2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C24H23F2N3O3/c1-29(15-17-11-13-19(14-12-17)32-24(25)26)16-22(30)28-21-10-6-5-9-20(21)23(31)27-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,27,31)(H,28,30)
InChIKeySDDIZGSFEWKVGO-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.61
Rot. Bonds9

About 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 27218006) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID27218006
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C24H23F2N3O3/c1-29(15-17-11-13-19(14-12-17)32-24(25)26)16-22(30)28-21-10-6-5-9-20(21)23(31)27-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,27,31)(H,28,30)
InChIKeySDDIZGSFEWKVGO-UHFFFAOYSA-N
XLogP4.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
CID 27096760
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide (CID 27218006) is 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is SDDIZGSFEWKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-29(15-17-11-13-19(14-12-17)32-24(25)26)16-22(30)28-21-10-6-5-9-20(21)23(31)27-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 439.46 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 27218006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).