N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide

C15H13ClF2N2O4 — CID 24576002

IUPACN-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O4/c1-8(19-14(22)12-3-2-6-23-12)13(21)20-9-4-5-11(10(16)7-9)24-15(17)18/h2-8,15H,1H3,(H,19,22)(H,20,21)/t8-/m0/s1
InChIKeyZTHFWQUUIWWQID-QMMMGPOBSA-N
MW358.73 g/mol
LogP3.29
Rot. Bonds6

About N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 24576002) has the molecular formula C15H13ClF2N2O4 and a molecular weight of 358.73 g/mol. Its IUPAC name is N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID24576002
Molecular FormulaC15H13ClF2N2O4
Molecular Weight358.73 g/mol
Exact Mass358.05
IUPAC NameN-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O4/c1-8(19-14(22)12-3-2-6-23-12)13(21)20-9-4-5-11(10(16)7-9)24-15(17)18/h2-8,15H,1H3,(H,19,22)(H,20,21)/t8-/m0/s1
InChIKeyZTHFWQUUIWWQID-QMMMGPOBSA-N
XLogP3.29
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 86830485
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46600099
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631542

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 24576002) is N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is ZTHFWQUUIWWQID-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13ClF2N2O4/c1-8(19-14(22)12-3-2-6-23-12)13(21)20-9-4-5-11(10(16)7-9)24-15(17)18/h2-8,15H,1H3,(H,19,22)(H,20,21)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 358.73 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24576002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).