4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid

C18H19F2NO4 — CID 25189599

IUPAC4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid
SMILESCC(C)c1cc(C(=O)Nc2cc(F)c(C(=O)O)c(F)c2)oc1C(C)C
InChIInChI=1S/C18H19F2NO4/c1-8(2)11-7-14(25-16(11)9(3)4)17(22)21-10-5-12(19)15(18(23)24)13(20)6-10/h5-9H,1-4H3,(H,21,22)(H,23,24)
InChIKeyVUGNSWDJDBBLHH-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.76
Rot. Bonds5

About 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid

4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid (PubChem CID 25189599) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid.

Molecular Properties

Compound Name4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid
PubChem CID25189599
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC Name4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid
SMILESCC(C)c1cc(C(=O)Nc2cc(F)c(C(=O)O)c(F)c2)oc1C(C)C
InChIInChI=1S/C18H19F2NO4/c1-8(2)11-7-14(25-16(11)9(3)4)17(22)21-10-5-12(19)15(18(23)24)13(20)6-10/h5-9H,1-4H3,(H,21,22)(H,23,24)
InChIKeyVUGNSWDJDBBLHH-UHFFFAOYSA-N
XLogP4.76
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid with MolForge

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Related Compounds

ethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoate
CID 67395238
methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate
CID 67394747
2,6-difluoro-4-(propan-2-ylamino)benzoic acid
CID 127018732
4-[2-[4,5-di(propan-2-yl)furan-2-yl]-2-oxoethyl]benzoic acid
CID 58420543
4-(3,3-dimethylbutanoylamino)-2,6-difluorobenzoic acid
CID 114217265
methyl 4-[[4,5-di(propan-2-yl)thiophene-2-carbonyl]amino]-2,6-difluorobenzoate
CID 67394321
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548
2,6-difluoro-3-propan-2-ylbenzoic acid
CID 20820281
2,6-difluoro-4-[methyl(propan-2-yl)amino]benzoic acid
CID 147174153
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide
CID 87031550
5-bromo-N-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110792846

Frequently Asked Questions

What is the IUPAC name of 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid?
The IUPAC name of 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid (CID 25189599) is 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid.
What is the SMILES notation for 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid?
The canonical SMILES for 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid is CC(C)c1cc(C(=O)Nc2cc(F)c(C(=O)O)c(F)c2)oc1C(C)C.
What is the InChIKey of 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid?
The InChIKey is VUGNSWDJDBBLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-8(2)11-7-14(25-16(11)9(3)4)17(22)21-10-5-12(19)15(18(23)24)13(20)6-10/h5-9H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid?
4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid has a molecular weight of 351.35 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid is sourced from PubChem (CID 25189599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).