N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide

C29H25F2NO2 — CID 141163798

IUPACN-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide
SMILESO=C(COc1ccccc1)N(CCc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C29H25F2NO2/c30-26-16-15-25(28(31)19-26)20-32(29(33)21-34-27-9-5-2-6-10-27)18-17-22-11-13-24(14-12-22)23-7-3-1-4-8-23/h1-16,19H,17-18,20-21H2
InChIKeyOIIFWFBRHKNLQQ-UHFFFAOYSA-N
MW457.52 g/mol
LogP6.28
Rot. Bonds9

About N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide

N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide (PubChem CID 141163798) has the molecular formula C29H25F2NO2 and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide
PubChem CID141163798
Molecular FormulaC29H25F2NO2
Molecular Weight457.52 g/mol
Exact Mass457.19
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide
SMILESO=C(COc1ccccc1)N(CCc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C29H25F2NO2/c30-26-16-15-25(28(31)19-26)20-32(29(33)21-34-27-9-5-2-6-10-27)18-17-22-11-13-24(14-12-22)23-7-3-1-4-8-23/h1-16,19H,17-18,20-21H2
InChIKeyOIIFWFBRHKNLQQ-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.52
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide 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

(2S)-2-[[4-[2-[(2,4-difluorophenyl)methyl-[(4-ethylphenyl)methyl]amino]-2-oxoethoxy]phenyl]methyl]-2-ethoxybutanoic acid
CID 68854110
N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
CID 120886664
(2S)-3-[4-[2-[(2,4-difluorophenyl)methyl-nonylamino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 11466514
methyl 2-[2-[3-[2-[(2,4-difluorophenyl)methyl-propylamino]-2-oxoethoxy]phenyl]ethoxy]benzoate
CID 90875798
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
2-[2-[4-[2-[(2,4-difluorophenyl)methyl-heptylamino]-2-oxoethoxy]-3-methoxyphenyl]ethoxy]benzoic acid
CID 10008181
N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
CID 42709076
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
3-(4-benzylsulfanylphenyl)-N-[(2,4-difluorophenyl)methyl]-N-heptylpropanamide
CID 141083050
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide (CID 141163798) is N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide is O=C(COc1ccccc1)N(CCc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is OIIFWFBRHKNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2NO2/c30-26-16-15-25(28(31)19-26)20-32(29(33)21-34-27-9-5-2-6-10-27)18-17-22-11-13-24(14-12-22)23-7-3-1-4-8-23/h1-16,19H,17-18,20-21H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide?
N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 457.52 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 141163798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).