N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide

C13H7F3N2O2 — CID 115911287

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccco1
InChIInChI=1S/C13H7F3N2O2/c14-13(15,16)9-3-4-10(8(6-9)7-17)18-12(19)11-2-1-5-20-11/h1-6H,(H,18,19)
InChIKeyLWIHQZUUKFRYQD-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.42
Rot. Bonds2

About N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 115911287) has the molecular formula C13H7F3N2O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID115911287
Molecular FormulaC13H7F3N2O2
Molecular Weight280.21 g/mol
Exact Mass280.05
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccco1
InChIInChI=1S/C13H7F3N2O2/c14-13(15,16)9-3-4-10(8(6-9)7-17)18-12(19)11-2-1-5-20-11/h1-6H,(H,18,19)
InChIKeyLWIHQZUUKFRYQD-UHFFFAOYSA-N
XLogP3.42
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide
CID 133373372
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 115910932
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-[2-cyano-4-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115911270

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 115911287) is N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide is N#Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is LWIHQZUUKFRYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2/c14-13(15,16)9-3-4-10(8(6-9)7-17)18-12(19)11-2-1-5-20-11/h1-6H,(H,18,19).
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 280.21 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 115911287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).