N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide

C14H11FN2O2 — CID 43580455

IUPACN-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESN#Cc1c(F)cccc1NC(=O)CCc1ccco1
InChIInChI=1S/C14H11FN2O2/c15-12-4-1-5-13(11(12)9-16)17-14(18)7-6-10-3-2-8-19-10/h1-5,8H,6-7H2,(H,17,18)
InChIKeyBCGMCMOKNPKROF-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.86
Rot. Bonds4

About N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide

N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 43580455) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID43580455
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC NameN-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESN#Cc1c(F)cccc1NC(=O)CCc1ccco1
InChIInChI=1S/C14H11FN2O2/c15-12-4-1-5-13(11(12)9-16)17-14(18)7-6-10-3-2-8-19-10/h1-5,8H,6-7H2,(H,17,18)
InChIKeyBCGMCMOKNPKROF-UHFFFAOYSA-N
XLogP2.86
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 63611856
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
2-anilino-N-(2-cyano-3-fluorophenyl)acetamide
CID 60862601
2-[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2814775
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide (CID 43580455) is N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide is N#Cc1c(F)cccc1NC(=O)CCc1ccco1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is BCGMCMOKNPKROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-4-1-5-13(11(12)9-16)17-14(18)7-6-10-3-2-8-19-10/h1-5,8H,6-7H2,(H,17,18).
What are the key properties of N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide?
N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 258.25 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 43580455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).