2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid

C15H19FN2O3 — CID 62694873

IUPAC2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNC(C(=O)O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-2-18(12-7-5-11(16)6-8-12)13(19)9-17-14(15(20)21)10-3-4-10/h5-8,10,14,17H,2-4,9H2,1H3,(H,20,21)
InChIKeyJCDMFUQVIKFIGX-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.63
Rot. Bonds7

About 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 62694873) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID62694873
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNC(C(=O)O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-2-18(12-7-5-11(16)6-8-12)13(19)9-17-14(15(20)21)10-3-4-10/h5-8,10,14,17H,2-4,9H2,1H3,(H,20,21)
InChIKeyJCDMFUQVIKFIGX-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
CID 62709879
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
N-ethyl-N-(4-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119690587
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
CID 65059821
2-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353735
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid (CID 62694873) is 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid is CCN(C(=O)CNC(C(=O)O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is JCDMFUQVIKFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-18(12-7-5-11(16)6-8-12)13(19)9-17-14(15(20)21)10-3-4-10/h5-8,10,14,17H,2-4,9H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62694873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).