4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide

C25H26F2N2O3 — CID 46406297

IUPAC4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
SMILESCCOc1cc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)ccc1OC(F)F
InChIInChI=1S/C25H26F2N2O3/c1-3-31-23-15-19(11-14-22(23)32-25(26)27)17-29(2)16-18-9-12-20(13-10-18)24(30)28-21-7-5-4-6-8-21/h4-15,25H,3,16-17H2,1-2H3,(H,28,30)
InChIKeyBKUZKMSDLPANJY-UHFFFAOYSA-N
MW440.49 g/mol
LogP5.57
Rot. Bonds10

About 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide

4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide (PubChem CID 46406297) has the molecular formula C25H26F2N2O3 and a molecular weight of 440.49 g/mol. Its IUPAC name is 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
PubChem CID46406297
Molecular FormulaC25H26F2N2O3
Molecular Weight440.49 g/mol
Exact Mass440.19
IUPAC Name4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
SMILESCCOc1cc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)ccc1OC(F)F
InChIInChI=1S/C25H26F2N2O3/c1-3-31-23-15-19(11-14-22(23)32-25(26)27)17-29(2)16-18-9-12-20(13-10-18)24(30)28-21-7-5-4-6-8-21/h4-15,25H,3,16-17H2,1-2H3,(H,28,30)
InChIKeyBKUZKMSDLPANJY-UHFFFAOYSA-N
XLogP5.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 2532367
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide (CID 46406297) is 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide is CCOc1cc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)ccc1OC(F)F.
What is the InChIKey of 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide?
The InChIKey is BKUZKMSDLPANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O3/c1-3-31-23-15-19(11-14-22(23)32-25(26)27)17-29(2)16-18-9-12-20(13-10-18)24(30)28-21-7-5-4-6-8-21/h4-15,25H,3,16-17H2,1-2H3,(H,28,30).
What are the key properties of 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide?
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide has a molecular weight of 440.49 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 46406297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).