2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide

C11H13ClFNO — CID 81365342

IUPAC2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
SMILESCC(Cl)C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyXZKSSFOLGVTVIK-MQWKRIRWSA-N
MW229.68 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide

2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide (PubChem CID 81365342) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
PubChem CID81365342
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
SMILESCC(Cl)C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyXZKSSFOLGVTVIK-MQWKRIRWSA-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

2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide (CID 81365342) is 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide is CC(Cl)C(=O)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide?
The InChIKey is XZKSSFOLGVTVIK-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide?
2-chloro-N-[(1S)-1-(3-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-[(1S)-1-(3-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 81365342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).