3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide

C11H14ClFN2O — CID 61469601

IUPAC3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLGOFVIHYPYJHIV-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.37
Rot. Bonds4

About 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide

3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide (PubChem CID 61469601) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
PubChem CID61469601
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLGOFVIHYPYJHIV-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 109034616
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
CID 109034608
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
CID 67972115
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide (CID 61469601) is 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide?
The InChIKey is LGOFVIHYPYJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide?
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide has a molecular weight of 244.70 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 61469601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).