4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide

C22H23FN4O4 — CID 55617179

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(N)=O
InChIInChI=1S/C22H23FN4O4/c1-13(18-11-25-27(14(18)2)17-7-5-16(23)6-8-17)26-22(29)15-4-9-19(20(10-15)30-3)31-12-21(24)28/h4-11,13H,12H2,1-3H3,(H2,24,28)(H,26,29)
InChIKeyIURYSNLNHVPYFB-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.68
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide (PubChem CID 55617179) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
PubChem CID55617179
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(N)=O
InChIInChI=1S/C22H23FN4O4/c1-13(18-11-25-27(14(18)2)17-7-5-16(23)6-8-17)26-22(29)15-4-9-19(20(10-15)30-3)31-12-21(24)28/h4-11,13H,12H2,1-3H3,(H2,24,28)(H,26,29)
InChIKeyIURYSNLNHVPYFB-UHFFFAOYSA-N
XLogP2.68
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
CID 55592587
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938666
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55592791
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 97114066
N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46587133
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
ethyl 5-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55578666

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide (CID 55617179) is 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide is COc1cc(C(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide?
The InChIKey is IURYSNLNHVPYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-13(18-11-25-27(14(18)2)17-7-5-16(23)6-8-17)26-22(29)15-4-9-19(20(10-15)30-3)31-12-21(24)28/h4-11,13H,12H2,1-3H3,(H2,24,28)(H,26,29).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide has a molecular weight of 426.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 55617179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).