2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid

C17H19FN2O4 — CID 120821177

IUPAC2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2cc(F)ccc2NC(C)C)cc1C(=O)O
InChIInChI=1S/C17H19FN2O4/c1-4-14-11(17(22)23)8-15(24-14)16(21)20-13-7-10(18)5-6-12(13)19-9(2)3/h5-9,19H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyHNWLJTWVDWJUMU-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.75
Rot. Bonds6

About 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120821177) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120821177
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2cc(F)ccc2NC(C)C)cc1C(=O)O
InChIInChI=1S/C17H19FN2O4/c1-4-14-11(17(22)23)8-15(24-14)16(21)20-13-7-10(18)5-6-12(13)19-9(2)3/h5-9,19H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyHNWLJTWVDWJUMU-UHFFFAOYSA-N
XLogP3.75
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
CID 43172269
2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
CID 120821464
2-ethyl-5-[[2-(methoxymethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821047
2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 120821113
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821756
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid (CID 120821177) is 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)Nc2cc(F)ccc2NC(C)C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is HNWLJTWVDWJUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-4-14-11(17(22)23)8-15(24-14)16(21)20-13-7-10(18)5-6-12(13)19-9(2)3/h5-9,19H,4H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).