2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid

C19H21FN2O4 — CID 25219956

IUPAC2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O4/c1-26-17-8-6-16(7-9-17)22(13-19(24)25)12-18(23)21-11-10-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23)(H,24,25)
InChIKeySVATZDUKUSZOQP-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.08
Rot. Bonds9

About 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid

2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid (PubChem CID 25219956) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
PubChem CID25219956
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O4/c1-26-17-8-6-16(7-9-17)22(13-19(24)25)12-18(23)21-11-10-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23)(H,24,25)
InChIKeySVATZDUKUSZOQP-UHFFFAOYSA-N
XLogP2.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113176865
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
The IUPAC name of 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid (CID 25219956) is 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid is COc1ccc(N(CC(=O)O)CC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
The InChIKey is SVATZDUKUSZOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-26-17-8-6-16(7-9-17)22(13-19(24)25)12-18(23)21-11-10-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid has a molecular weight of 360.39 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid is sourced from PubChem (CID 25219956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).