2-cyclopropyl-2-(2-fluoroanilino)butanamide

C13H17FN2O — CID 64920389

IUPAC2-cyclopropyl-2-(2-fluoroanilino)butanamide
SMILESCCC(Nc1ccccc1F)(C(N)=O)C1CC1
InChIInChI=1S/C13H17FN2O/c1-2-13(12(15)17,9-7-8-9)16-11-6-4-3-5-10(11)14/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17)
InChIKeyDNBNYVGLEPYHRQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds5

About 2-cyclopropyl-2-(2-fluoroanilino)butanamide

2-cyclopropyl-2-(2-fluoroanilino)butanamide (PubChem CID 64920389) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-fluoroanilino)butanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-fluoroanilino)butanamide
PubChem CID64920389
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-cyclopropyl-2-(2-fluoroanilino)butanamide
SMILESCCC(Nc1ccccc1F)(C(N)=O)C1CC1
InChIInChI=1S/C13H17FN2O/c1-2-13(12(15)17,9-7-8-9)16-11-6-4-3-5-10(11)14/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17)
InChIKeyDNBNYVGLEPYHRQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
CID 63526274
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
CID 113490114
2-cyclopropyl-3-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)propanamide
CID 63925390
2-carbamothioyl-N-(2-fluorophenyl)-2-methylbutanamide
CID 114291833
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
CID 112677148
methyl 2-cyclopropyl-2-(2-methylanilino)pentanoate
CID 114276044
2-(butan-2-ylamino)-2-cyclopropylbutanamide
CID 64917414
2-(2-fluoroanilino)butanamide
CID 60995502
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 113490048
2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
CID 63927629

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-fluoroanilino)butanamide?
The IUPAC name of 2-cyclopropyl-2-(2-fluoroanilino)butanamide (CID 64920389) is 2-cyclopropyl-2-(2-fluoroanilino)butanamide.
What is the SMILES notation for 2-cyclopropyl-2-(2-fluoroanilino)butanamide?
The canonical SMILES for 2-cyclopropyl-2-(2-fluoroanilino)butanamide is CCC(Nc1ccccc1F)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-fluoroanilino)butanamide?
The InChIKey is DNBNYVGLEPYHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-13(12(15)17,9-7-8-9)16-11-6-4-3-5-10(11)14/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17).
What are the key properties of 2-cyclopropyl-2-(2-fluoroanilino)butanamide?
2-cyclopropyl-2-(2-fluoroanilino)butanamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-fluoroanilino)butanamide is sourced from PubChem (CID 64920389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).