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

C9H8FN3O — CID 43580746

IUPAC2-amino-N-(2-cyano-3-fluorophenyl)acetamide
SMILESN#Cc1c(F)cccc1NC(=O)CN
InChIInChI=1S/C9H8FN3O/c10-7-2-1-3-8(6(7)4-11)13-9(14)5-12/h1-3H,5,12H2,(H,13,14)
InChIKeyBAIWSMROOAWHKV-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.59
Rot. Bonds2

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

2-amino-N-(2-cyano-3-fluorophenyl)acetamide (PubChem CID 43580746) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-fluorophenyl)acetamide
PubChem CID43580746
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-amino-N-(2-cyano-3-fluorophenyl)acetamide
SMILESN#Cc1c(F)cccc1NC(=O)CN
InChIInChI=1S/C9H8FN3O/c10-7-2-1-3-8(6(7)4-11)13-9(14)5-12/h1-3H,5,12H2,(H,13,14)
InChIKeyBAIWSMROOAWHKV-UHFFFAOYSA-N
XLogP0.59
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
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
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)-3-(furan-2-yl)propanamide
CID 43580455
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)acetamide?
The IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)acetamide (CID 43580746) is 2-amino-N-(2-cyano-3-fluorophenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-fluorophenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-fluorophenyl)acetamide is N#Cc1c(F)cccc1NC(=O)CN.
What is the InChIKey of 2-amino-N-(2-cyano-3-fluorophenyl)acetamide?
The InChIKey is BAIWSMROOAWHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-2-1-3-8(6(7)4-11)13-9(14)5-12/h1-3H,5,12H2,(H,13,14).
What are the key properties of 2-amino-N-(2-cyano-3-fluorophenyl)acetamide?
2-amino-N-(2-cyano-3-fluorophenyl)acetamide has a molecular weight of 193.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-fluorophenyl)acetamide is sourced from PubChem (CID 43580746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).