2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide

C23H18ClF2NO4 — CID 60508635

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C23H18ClF2NO4/c24-16-5-1-14(2-6-16)23(30)15-3-8-18(9-4-15)31-13-22(29)27-12-21(28)19-10-7-17(25)11-20(19)26/h1-11,21,28H,12-13H2,(H,27,29)
InChIKeyBPCFVLFNOPSMMC-UHFFFAOYSA-N
MW445.85 g/mol
LogP4.08
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 60508635) has the molecular formula C23H18ClF2NO4 and a molecular weight of 445.85 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID60508635
Molecular FormulaC23H18ClF2NO4
Molecular Weight445.85 g/mol
Exact Mass445.09
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C23H18ClF2NO4/c24-16-5-1-14(2-6-16)23(30)15-3-8-18(9-4-15)31-13-22(29)27-12-21(28)19-10-7-17(25)11-20(19)26/h1-11,21,28H,12-13H2,(H,27,29)
InChIKeyBPCFVLFNOPSMMC-UHFFFAOYSA-N
XLogP4.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]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

N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
CID 100724869
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 7484100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide (CID 60508635) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide is O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is BPCFVLFNOPSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO4/c24-16-5-1-14(2-6-16)23(30)15-3-8-18(9-4-15)31-13-22(29)27-12-21(28)19-10-7-17(25)11-20(19)26/h1-11,21,28H,12-13H2,(H,27,29).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 445.85 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 60508635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).