2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid

C14H12ClNO4 — CID 57316753

IUPAC2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H12ClNO4/c15-9-3-1-8(2-4-9)14(5-6-14)16-12-11(13(18)19)10(17)7-20-12/h1-4,7,16-17H,5-6H2,(H,18,19)
InChIKeyRIPHVKHQHJVDHC-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.44
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid

2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid (PubChem CID 57316753) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid
PubChem CID57316753
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H12ClNO4/c15-9-3-1-8(2-4-9)14(5-6-14)16-12-11(13(18)19)10(17)7-20-12/h1-4,7,16-17H,5-6H2,(H,18,19)
InChIKeyRIPHVKHQHJVDHC-UHFFFAOYSA-N
XLogP3.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid (CID 57316753) is 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid is O=C(O)c1c(O)coc1NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid?
The InChIKey is RIPHVKHQHJVDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-9-3-1-8(2-4-9)14(5-6-14)16-12-11(13(18)19)10(17)7-20-12/h1-4,7,16-17H,5-6H2,(H,18,19).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid?
2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopropyl]amino]-4-hydroxyfuran-3-carboxylic acid is sourced from PubChem (CID 57316753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).