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

C23H19NO5 — CID 59772116

IUPAC2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H19NO5/c25-21(26)15-24(19-9-5-2-6-10-19)16-22(27)29-20-13-11-18(12-14-20)23(28)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,26)
InChIKeyGKIZJLLXSWHMAP-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.41
Rot. Bonds8

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

2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid (PubChem CID 59772116) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid
PubChem CID59772116
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H19NO5/c25-21(26)15-24(19-9-5-2-6-10-19)16-22(27)29-20-13-11-18(12-14-20)23(28)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,26)
InChIKeyGKIZJLLXSWHMAP-UHFFFAOYSA-N
XLogP3.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
(4-benzoylphenyl) 2-aminoacetate
CID 174837870
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
4-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxybenzoic acid
CID 57159752
2-(N-sulfanylanilino)acetic acid
CID 87905389
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
CID 23732050
2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
CID 59212023
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid
CID 59772093
(4-benzoylphenyl) 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 9095434
(4-benzoylphenyl) 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetate
CID 18837606

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid (CID 59772116) is 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid is O=C(O)CN(CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid?
The InChIKey is GKIZJLLXSWHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c25-21(26)15-24(19-9-5-2-6-10-19)16-22(27)29-20-13-11-18(12-14-20)23(28)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,26).
What are the key properties of 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid?
2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid has a molecular weight of 389.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 59772116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).