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

C15H13ClF2N2O4 — CID 2442623

IUPACN-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O4/c16-10-8-9(3-4-11(10)24-15(17)18)20-13(21)5-6-19-14(22)12-2-1-7-23-12/h1-4,7-8,15H,5-6H2,(H,19,22)(H,20,21)
InChIKeyRQCQGJLJKPTRTE-UHFFFAOYSA-N
MW358.73 g/mol
LogP3.29
Rot. Bonds7

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

N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 2442623) has the molecular formula C15H13ClF2N2O4 and a molecular weight of 358.73 g/mol. Its IUPAC name is N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID2442623
Molecular FormulaC15H13ClF2N2O4
Molecular Weight358.73 g/mol
Exact Mass358.05
IUPAC NameN-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O4/c16-10-8-9(3-4-11(10)24-15(17)18)20-13(21)5-6-19-14(22)12-2-1-7-23-12/h1-4,7-8,15H,5-6H2,(H,19,22)(H,20,21)
InChIKeyRQCQGJLJKPTRTE-UHFFFAOYSA-N
XLogP3.29
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.73
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide (CID 2442623) is N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is RQCQGJLJKPTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O4/c16-10-8-9(3-4-11(10)24-15(17)18)20-13(21)5-6-19-14(22)12-2-1-7-23-12/h1-4,7-8,15H,5-6H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 358.73 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2442623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).