5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide

C19H20ClF2N3O4 — CID 138736711

IUPAC5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCCC(O)CC(=O)NCc1cncc(F)c1
InChIInChI=1S/C19H20ClF2N3O4/c20-16-2-1-15(7-17(16)22)29-11-19(28)24-4-3-14(26)6-18(27)25-9-12-5-13(21)10-23-8-12/h1-2,5,7-8,10,14,26H,3-4,6,9,11H2,(H,24,28)(H,25,27)
InChIKeyQYNWILWXLKGNNC-UHFFFAOYSA-N
MW427.84 g/mol
LogP1.97
Rot. Bonds10

About 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide

5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide (PubChem CID 138736711) has the molecular formula C19H20ClF2N3O4 and a molecular weight of 427.84 g/mol. Its IUPAC name is 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide.

Molecular Properties

Compound Name5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide
PubChem CID138736711
Molecular FormulaC19H20ClF2N3O4
Molecular Weight427.84 g/mol
Exact Mass427.11
IUPAC Name5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCCC(O)CC(=O)NCc1cncc(F)c1
InChIInChI=1S/C19H20ClF2N3O4/c20-16-2-1-15(7-17(16)22)29-11-19(28)24-4-3-14(26)6-18(27)25-9-12-5-13(21)10-23-8-12/h1-2,5,7-8,10,14,26H,3-4,6,9,11H2,(H,24,28)(H,25,27)
InChIKeyQYNWILWXLKGNNC-UHFFFAOYSA-N
XLogP1.97
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide
CID 138736159
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 138736340
(3S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(4-chloro-3-fluorophenyl)-2-oxoethyl]-3-hydroxypentanamide
CID 166896196
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-(5-fluoro-2-oxopyrimidin-1-yl)acetamide
CID 155303096
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chlorophenoxy)ethylamino]-3-hydroxybutyl]acetamide
CID 138632361
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-5-(hydroxymethyl)pyridine-2-carboxamide
CID 155264762
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303042
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 138632728
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]butanoic acid
CID 138632179

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide?
The IUPAC name of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide (CID 138736711) is 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide.
What is the SMILES notation for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide?
The canonical SMILES for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide is O=C(COc1ccc(Cl)c(F)c1)NCCC(O)CC(=O)NCc1cncc(F)c1.
What is the InChIKey of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide?
The InChIKey is QYNWILWXLKGNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O4/c20-16-2-1-15(7-17(16)22)29-11-19(28)24-4-3-14(26)6-18(27)25-9-12-5-13(21)10-23-8-12/h1-2,5,7-8,10,14,26H,3-4,6,9,11H2,(H,24,28)(H,25,27).
What are the key properties of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide?
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide has a molecular weight of 427.84 g/mol, XLogP of 1.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-3-hydroxypentanamide is sourced from PubChem (CID 138736711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).