3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide

C11H14ClFN2O — CID 107365336

IUPAC3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-14-11(16)3-4-15-10-6-8(12)5-9(13)7-10/h5-7,15H,2-4H2,1H3,(H,14,16)
InChIKeyYAFXSXVPNWPVDN-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.42
Rot. Bonds5

About 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide

3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide (PubChem CID 107365336) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
PubChem CID107365336
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-14-11(16)3-4-15-10-6-8(12)5-9(13)7-10/h5-7,15H,2-4H2,1H3,(H,14,16)
InChIKeyYAFXSXVPNWPVDN-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011
2-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177
ethyl 3-(3-chloro-5-fluoroanilino)propanoate
CID 107364886
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
CID 107365757
N-ethyl-3-(4-fluoroanilino)propanamide
CID 62324389
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
3-chloro-N-decyl-5-fluoroaniline
CID 107365499
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
CID 103773178

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide?
The IUPAC name of 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide (CID 107365336) is 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide.
What is the SMILES notation for 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide?
The canonical SMILES for 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide is CCNC(=O)CCNc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide?
The InChIKey is YAFXSXVPNWPVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-14-11(16)3-4-15-10-6-8(12)5-9(13)7-10/h5-7,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide?
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide has a molecular weight of 244.70 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide is sourced from PubChem (CID 107365336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).