2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid

C20H21FN2O5 — CID 119224438

IUPAC2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H21FN2O5/c1-2-16(28-17-6-4-3-5-15(17)21)20(27)23-14-9-7-13(8-10-14)11-18(24)22-12-19(25)26/h3-10,16H,2,11-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyLYNBFUVBTCNPDI-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.37
Rot. Bonds9

About 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224438) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid
PubChem CID119224438
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H21FN2O5/c1-2-16(28-17-6-4-3-5-15(17)21)20(27)23-14-9-7-13(8-10-14)11-18(24)22-12-19(25)26/h3-10,16H,2,11-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyLYNBFUVBTCNPDI-UHFFFAOYSA-N
XLogP2.37
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 78843000
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid (CID 119224438) is 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid is CCC(Oc1ccccc1F)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid?
The InChIKey is LYNBFUVBTCNPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-2-16(28-17-6-4-3-5-15(17)21)20(27)23-14-9-7-13(8-10-14)11-18(24)22-12-19(25)26/h3-10,16H,2,11-12H2,1H3,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid has a molecular weight of 388.40 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).