N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide

C14H12F2N2O3 — CID 38764774

IUPACN-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O3/c15-10-1-2-12(11(16)7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19)
InChIKeyBTOKZGPTNWLJNC-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide

N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 38764774) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
PubChem CID38764774
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC NameN-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O3/c15-10-1-2-12(11(16)7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19)
InChIKeyBTOKZGPTNWLJNC-UHFFFAOYSA-N
XLogP2.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 32600536
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide (CID 38764774) is N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide is O=C(CCNC(=O)c1ccoc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is BTOKZGPTNWLJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c15-10-1-2-12(11(16)7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide?
N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 38764774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).