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

C10H8ClFN2O — CID 43580715

IUPAC3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
SMILESN#Cc1c(F)cccc1NC(=O)CCCl
InChIInChI=1S/C10H8ClFN2O/c11-5-4-10(15)14-9-3-1-2-8(12)7(9)6-13/h1-3H,4-5H2,(H,14,15)
InChIKeyPZJXRZROGZEQKF-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.26
Rot. Bonds3

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

3-chloro-N-(2-cyano-3-fluorophenyl)propanamide (PubChem CID 43580715) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
PubChem CID43580715
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
SMILESN#Cc1c(F)cccc1NC(=O)CCCl
InChIInChI=1S/C10H8ClFN2O/c11-5-4-10(15)14-9-3-1-2-8(12)7(9)6-13/h1-3H,4-5H2,(H,14,15)
InChIKeyPZJXRZROGZEQKF-UHFFFAOYSA-N
XLogP2.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
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
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
The IUPAC name of 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide (CID 43580715) is 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide is N#Cc1c(F)cccc1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
The InChIKey is PZJXRZROGZEQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-5-4-10(15)14-9-3-1-2-8(12)7(9)6-13/h1-3H,4-5H2,(H,14,15).
What are the key properties of 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide?
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide has a molecular weight of 226.64 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-3-fluorophenyl)propanamide is sourced from PubChem (CID 43580715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).