N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

C24H22F4N2O5 — CID 140670921

IUPACN-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(-c2c(NC(C)=O)ccc(OCCO)c2C(F)(F)F)c(F)c1
InChIInChI=1S/C24H22F4N2O5/c1-3-34-20-11-21(33)29-12-16(20)14-4-5-15(17(25)10-14)22-18(30-13(2)32)6-7-19(35-9-8-31)23(22)24(26,27)28/h4-7,10-12,31H,3,8-9H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyQHMLFIDBEJSTMF-UHFFFAOYSA-N
MW494.44 g/mol
LogP4.59
Rot. Bonds8

About N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 140670921) has the molecular formula C24H22F4N2O5 and a molecular weight of 494.44 g/mol. Its IUPAC name is N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID140670921
Molecular FormulaC24H22F4N2O5
Molecular Weight494.44 g/mol
Exact Mass494.15
IUPAC NameN-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(-c2c(NC(C)=O)ccc(OCCO)c2C(F)(F)F)c(F)c1
InChIInChI=1S/C24H22F4N2O5/c1-3-34-20-11-21(33)29-12-16(20)14-4-5-15(17(25)10-14)22-18(30-13(2)32)6-7-19(35-9-8-31)23(22)24(26,27)28/h4-7,10-12,31H,3,8-9H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyQHMLFIDBEJSTMF-UHFFFAOYSA-N
XLogP4.59
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetamide
CID 78427301
N-[2-(dimethylamino)ethyl]-6-[[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetyl]amino]-1-oxo-10-(trifluoromethyl)-2,8,9-trioxa-1λ5-phosphatricyclo[3.3.1.13,7]deca-3,5,7(10)-triene-4-carboxamide
CID 140852904
2-[2-(diethylamino)ethyl]-3-[[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetyl]amino]-5-(trifluoromethyl)benzamide
CID 175740543
2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
CID 78427027
[N-[2-(dimethylamino)ethyl]-3-[[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetyl]amino]-5-(trifluoromethyl)anilino]phosphonic acid
CID 118946875
2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]acetamide
CID 163362774
3-[2-amino-1-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-2-oxoethyl]-N-[2-(3-fluoroazetidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 175229945
3-[[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetyl]amino]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 163362835
3-[[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetyl]amino]-N-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 163362816
(2S)-2-amino-4-[[2-[[3-[[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetyl]amino]-5-(trifluoromethyl)benzoyl]amino]ethyl-methylamino]methoxy]-4-oxobutanoic acid
CID 137435258
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (CID 140670921) is N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is CCOc1cc(=O)[nH]cc1-c1ccc(-c2c(NC(C)=O)ccc(OCCO)c2C(F)(F)F)c(F)c1.
What is the InChIKey of N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QHMLFIDBEJSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O5/c1-3-34-20-11-21(33)29-12-16(20)14-4-5-15(17(25)10-14)22-18(30-13(2)32)6-7-19(35-9-8-31)23(22)24(26,27)28/h4-7,10-12,31H,3,8-9H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 494.44 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 140670921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).