5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid

C12H10FNO3 — CID 62204976

IUPAC5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid
SMILESCN(c1cccc(F)c1)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10FNO3/c1-14(9-4-2-3-8(13)7-9)11-6-5-10(17-11)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyATHSPACKNOWZMM-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.88
Rot. Bonds3

About 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid

5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid (PubChem CID 62204976) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid
PubChem CID62204976
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid
SMILESCN(c1cccc(F)c1)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10FNO3/c1-14(9-4-2-3-8(13)7-9)11-6-5-10(17-11)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyATHSPACKNOWZMM-UHFFFAOYSA-N
XLogP2.88
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate
CID 71979295
5-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]-2-furoic Acid
CID 22050576
5-[(3,4-Difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
CID 22320625
5-[2,5-Dihydroxy-3-(trifluoromethyl)-2,5-dihydropyrrol-1-yl]furan-2-carboxylic acid
CID 141510413
5-(N-methyl-N-phenylamino)furfural
CID 39196921
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 8245709
2-[2-fluoro-N-(furan-2-carbonyl)anilino]acetic acid
CID 28765422
2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid
CID 28765520
2-[4-fluoro-N-(furan-2-carbonyl)anilino]acetic acid
CID 28765596
(E)-3-[5-[4-(4-fluorophenyl)piperazin-1-yl]furan-2-yl]prop-2-enoic acid
CID 39150708
(E)-3-[5-[4-(2-fluorophenyl)piperazin-1-yl]furan-2-yl]prop-2-enoic acid
CID 39150756
5-(N-ethyl-4-fluoroanilino)furan-2-carbaldehyde
CID 55040055

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid (CID 62204976) is 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid is CN(c1cccc(F)c1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid?
The InChIKey is ATHSPACKNOWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-14(9-4-2-3-8(13)7-9)11-6-5-10(17-11)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid?
5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid is sourced from PubChem (CID 62204976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).