2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid

C17H17FN2O3 — CID 25219996

IUPAC2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c18-14-8-6-13(7-9-14)10-19-16(21)11-20(12-17(22)23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,22,23)
InChIKeyUHSLMTSQZZIWFI-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.03
Rot. Bonds7

About 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid

2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid (PubChem CID 25219996) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
PubChem CID25219996
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c18-14-8-6-13(7-9-14)10-19-16(21)11-20(12-17(22)23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,22,23)
InChIKeyUHSLMTSQZZIWFI-UHFFFAOYSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
CID 25220023
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
N-[2-(4-fluorophenyl)ethyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877219
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275689
2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25219956
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid (CID 25219996) is 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid is O=C(O)CN(CC(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid?
The InChIKey is UHSLMTSQZZIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-14-8-6-13(7-9-14)10-19-16(21)11-20(12-17(22)23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,22,23).
What are the key properties of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid?
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid has a molecular weight of 316.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 25219996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).