3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide

C14H19FN2O — CID 113490089

IUPAC3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide
SMILESCc1cc(F)cc(NC(C)(CC2CC2)C(N)=O)c1
InChIInChI=1S/C14H19FN2O/c1-9-5-11(15)7-12(6-9)17-14(2,13(16)18)8-10-3-4-10/h5-7,10,17H,3-4,8H2,1-2H3,(H2,16,18)
InChIKeyQDTUSALIPXKIMF-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.59
Rot. Bonds5

About 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide

3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide (PubChem CID 113490089) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide
PubChem CID113490089
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide
SMILESCc1cc(F)cc(NC(C)(CC2CC2)C(N)=O)c1
InChIInChI=1S/C14H19FN2O/c1-9-5-11(15)7-12(6-9)17-14(2,13(16)18)8-10-3-4-10/h5-7,10,17H,3-4,8H2,1-2H3,(H2,16,18)
InChIKeyQDTUSALIPXKIMF-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
CID 116535507
2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
CID 79054586
2-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
CID 79055465
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
2-(3,5-dimethylanilino)-2-methylbutanoic acid
CID 71564852
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide?
The IUPAC name of 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide (CID 113490089) is 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide.
What is the SMILES notation for 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide?
The canonical SMILES for 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide is Cc1cc(F)cc(NC(C)(CC2CC2)C(N)=O)c1.
What is the InChIKey of 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide?
The InChIKey is QDTUSALIPXKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-5-11(15)7-12(6-9)17-14(2,13(16)18)8-10-3-4-10/h5-7,10,17H,3-4,8H2,1-2H3,(H2,16,18).
What are the key properties of 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide?
3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide has a molecular weight of 250.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide is sourced from PubChem (CID 113490089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).