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

C10H9FN2O — CID 43580352

IUPACN-(2-cyano-3-fluorophenyl)propanamide
SMILESCCC(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2O/c1-2-10(14)13-9-5-3-4-8(11)7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyBBCVJKRDVRMSSY-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.05
Rot. Bonds2

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

N-(2-cyano-3-fluorophenyl)propanamide (PubChem CID 43580352) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)propanamide
PubChem CID43580352
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-(2-cyano-3-fluorophenyl)propanamide
SMILESCCC(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2O/c1-2-10(14)13-9-5-3-4-8(11)7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyBBCVJKRDVRMSSY-UHFFFAOYSA-N
XLogP2.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
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)-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
N-(2-cyano-3-fluorophenyl)-2-(2-methoxyphenyl)acetamide
CID 43580433
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)propanamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)propanamide (CID 43580352) is N-(2-cyano-3-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)propanamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)propanamide is CCC(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)propanamide?
The InChIKey is BBCVJKRDVRMSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-10(14)13-9-5-3-4-8(11)7(9)6-12/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of N-(2-cyano-3-fluorophenyl)propanamide?
N-(2-cyano-3-fluorophenyl)propanamide has a molecular weight of 192.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)propanamide is sourced from PubChem (CID 43580352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).