3-(3,5-dichloro-4-fluoroanilino)propanamide

C9H9Cl2FN2O — CID 107573902

IUPAC3-(3,5-dichloro-4-fluoroanilino)propanamide
SMILESNC(=O)CCNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2FN2O/c10-6-3-5(4-7(11)9(6)12)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyJQGDLISUJYAPJT-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.42
Rot. Bonds4

About 3-(3,5-dichloro-4-fluoroanilino)propanamide

3-(3,5-dichloro-4-fluoroanilino)propanamide (PubChem CID 107573902) has the molecular formula C9H9Cl2FN2O and a molecular weight of 251.09 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-fluoroanilino)propanamide
PubChem CID107573902
Molecular FormulaC9H9Cl2FN2O
Molecular Weight251.09 g/mol
Exact Mass250.01
IUPAC Name3-(3,5-dichloro-4-fluoroanilino)propanamide
SMILESNC(=O)CCNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2FN2O/c10-6-3-5(4-7(11)9(6)12)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15)
InChIKeyJQGDLISUJYAPJT-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
3-(3,4,5-trifluoroanilino)propanamide
CID 62810096
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606
3-(3,5-dimethylanilino)propanamide;ethyl 3-(3,5-dimethylanilino)propanoate;methane
CID 160767961
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107574504
3-(3,4-dimethylanilino)propanamide
CID 43131963
3-(4-bromo-2-chloroanilino)propanamide
CID 43347354
3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-fluoroanilino)propanamide?
The IUPAC name of 3-(3,5-dichloro-4-fluoroanilino)propanamide (CID 107573902) is 3-(3,5-dichloro-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(3,5-dichloro-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(3,5-dichloro-4-fluoroanilino)propanamide is NC(=O)CCNc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-(3,5-dichloro-4-fluoroanilino)propanamide?
The InChIKey is JQGDLISUJYAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2O/c10-6-3-5(4-7(11)9(6)12)14-2-1-8(13)15/h3-4,14H,1-2H2,(H2,13,15).
What are the key properties of 3-(3,5-dichloro-4-fluoroanilino)propanamide?
3-(3,5-dichloro-4-fluoroanilino)propanamide has a molecular weight of 251.09 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-fluoroanilino)propanamide is sourced from PubChem (CID 107573902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).