N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide

C13H11ClN2O3 — CID 2444301

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyYGJNCGCASHGLKA-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2444301) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID2444301
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyYGJNCGCASHGLKA-UHFFFAOYSA-N
XLogP2.30
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide (CID 2444301) is N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YGJNCGCASHGLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1-7H,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 278.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2444301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).