3-amino-N-(2-cyano-3-fluorophenyl)propanamide

C10H10FN3O — CID 43580751

IUPAC3-amino-N-(2-cyano-3-fluorophenyl)propanamide
SMILESN#Cc1c(F)cccc1NC(=O)CCN
InChIInChI=1S/C10H10FN3O/c11-8-2-1-3-9(7(8)6-13)14-10(15)4-5-12/h1-3H,4-5,12H2,(H,14,15)
InChIKeyYFRPYRIGMNSSJO-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.98
Rot. Bonds3

About 3-amino-N-(2-cyano-3-fluorophenyl)propanamide

3-amino-N-(2-cyano-3-fluorophenyl)propanamide (PubChem CID 43580751) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-amino-N-(2-cyano-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyano-3-fluorophenyl)propanamide
PubChem CID43580751
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-amino-N-(2-cyano-3-fluorophenyl)propanamide
SMILESN#Cc1c(F)cccc1NC(=O)CCN
InChIInChI=1S/C10H10FN3O/c11-8-2-1-3-9(7(8)6-13)14-10(15)4-5-12/h1-3H,4-5,12H2,(H,14,15)
InChIKeyYFRPYRIGMNSSJO-UHFFFAOYSA-N
XLogP0.98
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
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
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 63611856
2-anilino-N-(2-cyano-3-fluorophenyl)acetamide
CID 60862601
2-[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2814775
N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide
CID 43580455
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
CID 61264990
N-(2-cyano-3-fluorophenyl)-2-(2-methoxyphenyl)acetamide
CID 43580433

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyano-3-fluorophenyl)propanamide?
The IUPAC name of 3-amino-N-(2-cyano-3-fluorophenyl)propanamide (CID 43580751) is 3-amino-N-(2-cyano-3-fluorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-cyano-3-fluorophenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-cyano-3-fluorophenyl)propanamide is N#Cc1c(F)cccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-cyano-3-fluorophenyl)propanamide?
The InChIKey is YFRPYRIGMNSSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-2-1-3-9(7(8)6-13)14-10(15)4-5-12/h1-3H,4-5,12H2,(H,14,15).
What are the key properties of 3-amino-N-(2-cyano-3-fluorophenyl)propanamide?
3-amino-N-(2-cyano-3-fluorophenyl)propanamide has a molecular weight of 207.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyano-3-fluorophenyl)propanamide is sourced from PubChem (CID 43580751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).