3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide

C11H13Cl2FN2O — CID 107574011

IUPAC3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H13Cl2FN2O/c1-2-15-10(17)3-4-16-7-5-8(12)11(14)9(13)6-7/h5-6,16H,2-4H2,1H3,(H,15,17)
InChIKeyYRXCTHUSGDCGNE-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.07
Rot. Bonds5

About 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide

3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide (PubChem CID 107574011) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
PubChem CID107574011
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC Name3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H13Cl2FN2O/c1-2-15-10(17)3-4-16-7-5-8(12)11(14)9(13)6-7/h5-6,16H,2-4H2,1H3,(H,15,17)
InChIKeyYRXCTHUSGDCGNE-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.07
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

3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
N-ethyl-3-(4-fluoroanilino)propanamide
CID 62324389
N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
CID 115564289
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
N-ethyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810089
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide?
The IUPAC name of 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide (CID 107574011) is 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide.
What is the SMILES notation for 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide?
The canonical SMILES for 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide is CCNC(=O)CCNc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide?
The InChIKey is YRXCTHUSGDCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O/c1-2-15-10(17)3-4-16-7-5-8(12)11(14)9(13)6-7/h5-6,16H,2-4H2,1H3,(H,15,17).
What are the key properties of 3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide?
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide has a molecular weight of 279.14 g/mol, XLogP of 3.07, 5 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)-N-ethylpropanamide is sourced from PubChem (CID 107574011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).