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

C14H12ClFN2O3 — CID 2443194

IUPACN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O3/c15-10-8-9(3-4-11(10)16)18-13(19)5-6-17-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19)
InChIKeyDXRUCALHWFTPKZ-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.83
Rot. Bonds5

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

N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 2443194) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID2443194
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC NameN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O3/c15-10-8-9(3-4-11(10)16)18-13(19)5-6-17-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19)
InChIKeyDXRUCALHWFTPKZ-UHFFFAOYSA-N
XLogP2.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide (CID 2443194) is N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is DXRUCALHWFTPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c15-10-8-9(3-4-11(10)16)18-13(19)5-6-17-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 310.71 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).