2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide

C12H12FN3O — CID 107936391

IUPAC2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
SMILESN#Cc1cc(C(NC2CC2)C(N)=O)ccc1F
InChIInChI=1S/C12H12FN3O/c13-10-4-1-7(5-8(10)6-14)11(12(15)17)16-9-2-3-9/h1,4-5,9,11,16H,2-3H2,(H2,15,17)
InChIKeyIBHKCDAULYVTOX-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.98
Rot. Bonds4

About 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide

2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide (PubChem CID 107936391) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
PubChem CID107936391
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
SMILESN#Cc1cc(C(NC2CC2)C(N)=O)ccc1F
InChIInChI=1S/C12H12FN3O/c13-10-4-1-7(5-8(10)6-14)11(12(15)17)16-9-2-3-9/h1,4-5,9,11,16H,2-3H2,(H2,15,17)
InChIKeyIBHKCDAULYVTOX-UHFFFAOYSA-N
XLogP0.98
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide
CID 107936380
2-(cyclopropylamino)-2-(2,4-difluorophenyl)acetamide
CID 60796444
2-(cyclopropylamino)-2-(2,5-difluorophenyl)acetamide
CID 60796305
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride
CID 171210982
methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
CID 131484786
methyl 3-(3-cyano-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171864069
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
3-cyano-4-fluorobenzamide
CID 68505906
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(cyclopentylamino)-2-(2-fluorophenyl)acetamide
CID 54894042
2-(cyclopropylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 54937644

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide (CID 107936391) is 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide is N#Cc1cc(C(NC2CC2)C(N)=O)ccc1F.
What is the InChIKey of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The InChIKey is IBHKCDAULYVTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-4-1-7(5-8(10)6-14)11(12(15)17)16-9-2-3-9/h1,4-5,9,11,16H,2-3H2,(H2,15,17).
What are the key properties of 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide has a molecular weight of 233.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 107936391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).