3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide

C20H16F2N2O4 — CID 18444563

IUPAC3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide
SMILESNC(=O)c1oc(C=O)cc1CNc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H16F2N2O4/c21-20(22)28-16-7-3-13(4-8-16)12-1-5-15(6-2-12)24-10-14-9-17(11-25)27-18(14)19(23)26/h1-9,11,20,24H,10H2,(H2,23,26)
InChIKeyJOIKXGYNPUNWTO-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.07
Rot. Bonds8

About 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide

3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide (PubChem CID 18444563) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide
PubChem CID18444563
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Name3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide
SMILESNC(=O)c1oc(C=O)cc1CNc1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H16F2N2O4/c21-20(22)28-16-7-3-13(4-8-16)12-1-5-15(6-2-12)24-10-14-9-17(11-25)27-18(14)19(23)26/h1-9,11,20,24H,10H2,(H2,23,26)
InChIKeyJOIKXGYNPUNWTO-UHFFFAOYSA-N
XLogP4.07
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
methyl 5-[[4-(difluoromethoxy)anilino]methyl]-1H-pyrrole-2-carboxylate
CID 79413140
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
2-[[4-(difluoromethoxy)anilino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369607
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(Z)-4-[4-(difluoromethoxy)anilino]-2-methylbut-2-enoic acid
CID 103237095
4-[[4-(difluoromethoxy)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 134062843
3-chloro-4-[[4-(difluoromethoxy)anilino]methyl]benzonitrile
CID 102664015
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)aniline
CID 28623913

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide?
The IUPAC name of 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide (CID 18444563) is 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide.
What is the SMILES notation for 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide?
The canonical SMILES for 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide is NC(=O)c1oc(C=O)cc1CNc1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide?
The InChIKey is JOIKXGYNPUNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c21-20(22)28-16-7-3-13(4-8-16)12-1-5-15(6-2-12)24-10-14-9-17(11-25)27-18(14)19(23)26/h1-9,11,20,24H,10H2,(H2,23,26).
What are the key properties of 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide?
3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide has a molecular weight of 386.35 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(difluoromethoxy)phenyl]anilino]methyl]-5-formylfuran-2-carboxamide is sourced from PubChem (CID 18444563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).