2-(3-chloro-5-fluoroanilino)-N-propylacetamide

C11H14ClFN2O — CID 103773177

IUPAC2-(3-chloro-5-fluoroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-3-14-11(16)7-15-10-5-8(12)4-9(13)6-10/h4-6,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyJHBUMTLKTLDZKI-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.42
Rot. Bonds5

About 2-(3-chloro-5-fluoroanilino)-N-propylacetamide

2-(3-chloro-5-fluoroanilino)-N-propylacetamide (PubChem CID 103773177) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)-N-propylacetamide
PubChem CID103773177
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-(3-chloro-5-fluoroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-3-14-11(16)7-15-10-5-8(12)4-9(13)6-10/h4-6,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyJHBUMTLKTLDZKI-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

2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
CID 103773178
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
3-chloro-N-decyl-5-fluoroaniline
CID 107365499
ethyl 3-(3-chloro-5-fluoroanilino)propanoate
CID 107364886
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-propylacetamide?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-propylacetamide (CID 103773177) is 2-(3-chloro-5-fluoroanilino)-N-propylacetamide.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)-N-propylacetamide?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)-N-propylacetamide is CCCNC(=O)CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)-N-propylacetamide?
The InChIKey is JHBUMTLKTLDZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-3-14-11(16)7-15-10-5-8(12)4-9(13)6-10/h4-6,15H,2-3,7H2,1H3,(H,14,16).
What are the key properties of 2-(3-chloro-5-fluoroanilino)-N-propylacetamide?
2-(3-chloro-5-fluoroanilino)-N-propylacetamide 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 2-(3-chloro-5-fluoroanilino)-N-propylacetamide is sourced from PubChem (CID 103773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).