5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide

C22H24Cl2F2N2O4 — CID 166896201

IUPAC5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCCCCC(=O)N(CCO)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H24Cl2F2N2O4/c23-17-6-4-15(11-19(17)25)13-28(9-10-29)22(31)3-1-2-8-27-21(30)14-32-16-5-7-18(24)20(26)12-16/h4-7,11-12,29H,1-3,8-10,13-14H2,(H,27,30)
InChIKeyVWKJYEJKWRNODA-UHFFFAOYSA-N
MW489.35 g/mol
LogP3.96
Rot. Bonds12

About 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide

5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide (PubChem CID 166896201) has the molecular formula C22H24Cl2F2N2O4 and a molecular weight of 489.35 g/mol. Its IUPAC name is 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide.

Molecular Properties

Compound Name5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide
PubChem CID166896201
Molecular FormulaC22H24Cl2F2N2O4
Molecular Weight489.35 g/mol
Exact Mass488.11
IUPAC Name5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCCCCC(=O)N(CCO)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H24Cl2F2N2O4/c23-17-6-4-15(11-19(17)25)13-28(9-10-29)22(31)3-1-2-8-27-21(30)14-32-16-5-7-18(24)20(26)12-16/h4-7,11-12,29H,1-3,8-10,13-14H2,(H,27,30)
InChIKeyVWKJYEJKWRNODA-UHFFFAOYSA-N
XLogP3.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
CID 138632283
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]butanoic acid
CID 138632179
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382
N'-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]-N'-(2-hydroxyethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propanediamide
CID 166896199
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(hydrazinylmethyl)benzamide
CID 155265235
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-5-(hydroxymethyl)pyridine-2-carboxamide
CID 155264762
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide?
The IUPAC name of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide (CID 166896201) is 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide.
What is the SMILES notation for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide?
The canonical SMILES for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide is O=C(COc1ccc(Cl)c(F)c1)NCCCCC(=O)N(CCO)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide?
The InChIKey is VWKJYEJKWRNODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2F2N2O4/c23-17-6-4-15(11-19(17)25)13-28(9-10-29)22(31)3-1-2-8-27-21(30)14-32-16-5-7-18(24)20(26)12-16/h4-7,11-12,29H,1-3,8-10,13-14H2,(H,27,30).
What are the key properties of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide?
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide has a molecular weight of 489.35 g/mol, XLogP of 3.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)pentanamide is sourced from PubChem (CID 166896201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).