N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide

C13H10ClFN2O3 — CID 6486913

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10ClFN2O3/c14-9-6-8(3-4-10(9)15)17-12(18)7-16-13(19)11-2-1-5-20-11/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyPGBCQLCGJVFYOQ-UHFFFAOYSA-N
MW296.69 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 6486913) has the molecular formula C13H10ClFN2O3 and a molecular weight of 296.69 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID6486913
Molecular FormulaC13H10ClFN2O3
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10ClFN2O3/c14-9-6-8(3-4-10(9)15)17-12(18)7-16-13(19)11-2-1-5-20-11/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyPGBCQLCGJVFYOQ-UHFFFAOYSA-N
XLogP2.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 220406
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CID 306831
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CID 308065
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CID 675057
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CID 282652
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CID 531893
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CID 10735128
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CID 743722
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CID 2162197
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CID 2302650
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (CID 6486913) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PGBCQLCGJVFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3/c14-9-6-8(3-4-10(9)15)17-12(18)7-16-13(19)11-2-1-5-20-11/h1-6H,7H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 296.69 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 6486913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).