2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide

C6H10ClF2NO2 — CID 103881719

IUPAC2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
SMILESCC(Cl)C(=O)NCC(O)C(F)F
InChIInChI=1S/C6H10ClF2NO2/c1-3(7)6(12)10-2-4(11)5(8)9/h3-5,11H,2H2,1H3,(H,10,12)
InChIKeyKKEUMWZZYYWIMJ-UHFFFAOYSA-N
MW201.60 g/mol
LogP0.36
Rot. Bonds4

About 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide

2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide (PubChem CID 103881719) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
PubChem CID103881719
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
SMILESCC(Cl)C(=O)NCC(O)C(F)F
InChIInChI=1S/C6H10ClF2NO2/c1-3(7)6(12)10-2-4(11)5(8)9/h3-5,11H,2H2,1H3,(H,10,12)
InChIKeyKKEUMWZZYYWIMJ-UHFFFAOYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
CID 103820546
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide (CID 103881719) is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide is CC(Cl)C(=O)NCC(O)C(F)F.
What is the InChIKey of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
The InChIKey is KKEUMWZZYYWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2/c1-3(7)6(12)10-2-4(11)5(8)9/h3-5,11H,2H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide has a molecular weight of 201.60 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103881719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).