2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide

C11H13ClFNO — CID 43346434

IUPAC2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
SMILESCC(Cl)C(=O)NC(C)c1ccccc1F
InChIInChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-5-3-4-6-10(9)13/h3-8H,1-2H3,(H,14,15)
InChIKeyMQCCNQAQUXVTJK-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide

2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide (PubChem CID 43346434) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
PubChem CID43346434
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
SMILESCC(Cl)C(=O)NC(C)c1ccccc1F
InChIInChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-5-3-4-6-10(9)13/h3-8H,1-2H3,(H,14,15)
InChIKeyMQCCNQAQUXVTJK-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 62851853
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106312576
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
phenyl N-[1-(2-fluorophenyl)ethyl]carbamate
CID 60630442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide (CID 43346434) is 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide is CC(Cl)C(=O)NC(C)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is MQCCNQAQUXVTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-5-3-4-6-10(9)13/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide?
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 229.68 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 43346434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).