N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide

C19H13FN2O2 — CID 27163463

IUPACN-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESN#CCc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H13FN2O2/c20-15-5-3-14(4-6-15)17-9-10-18(24-17)19(23)22-16-7-1-13(2-8-16)11-12-21/h1-10H,11H2,(H,22,23)
InChIKeyUWCKIAWLKNITBL-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.40
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 27163463) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID27163463
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC NameN-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESN#CCc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H13FN2O2/c20-15-5-3-14(4-6-15)17-9-10-18(24-17)19(23)22-16-7-1-13(2-8-16)11-12-21/h1-10H,11H2,(H,22,23)
InChIKeyUWCKIAWLKNITBL-UHFFFAOYSA-N
XLogP4.40
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 99613859
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N-[3-chloro-4-(methylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 94632130
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040901
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 27163463) is N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is N#CCc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is UWCKIAWLKNITBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-15-5-3-14(4-6-15)17-9-10-18(24-17)19(23)22-16-7-1-13(2-8-16)11-12-21/h1-10H,11H2,(H,22,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 27163463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).