N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide

C13H17FN2O — CID 43088822

IUPACN-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
SMILESCc1ccc(NC(C)C(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-8-3-6-12(11(14)7-8)15-9(2)13(17)16-10-4-5-10/h3,6-7,9-10,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyOGAJFHBKUXXPHA-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.21
Rot. Bonds4

About N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide

N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide (PubChem CID 43088822) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
PubChem CID43088822
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
SMILESCc1ccc(NC(C)C(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-8-3-6-12(11(14)7-8)15-9(2)13(17)16-10-4-5-10/h3,6-7,9-10,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyOGAJFHBKUXXPHA-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
N-cyclopentyl-2-(2,3-difluoroanilino)propanamide
CID 61074672

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide?
The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide (CID 43088822) is N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide is Cc1ccc(NC(C)C(=O)NC2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide?
The InChIKey is OGAJFHBKUXXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-3-6-12(11(14)7-8)15-9(2)13(17)16-10-4-5-10/h3,6-7,9-10,15H,4-5H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide?
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide has a molecular weight of 236.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide is sourced from PubChem (CID 43088822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).