2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide

C14H19FN2O — CID 112677148

IUPAC2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
SMILESCCC(NCC1CC1)(C(N)=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-2-14(13(16)18,17-9-10-7-8-10)11-5-3-4-6-12(11)15/h3-6,10,17H,2,7-9H2,1H3,(H2,16,18)
InChIKeyXKUHMONPXNAOAJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.92
Rot. Bonds6

About 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide

2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide (PubChem CID 112677148) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
PubChem CID112677148
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
SMILESCCC(NCC1CC1)(C(N)=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-2-14(13(16)18,17-9-10-7-8-10)11-5-3-4-6-12(11)15/h3-6,10,17H,2,7-9H2,1H3,(H2,16,18)
InChIKeyXKUHMONPXNAOAJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-(methylamino)butanamide
CID 112677135
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
CID 54894019
methyl 2-anilino-2-(2-fluorophenyl)butanoate
CID 115994470
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
3-(ethylamino)-3-(2-fluorophenyl)pentanamide
CID 112680259
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
2-cyclopropyl-2-(2-fluoroanilino)butanamide
CID 64920389
methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate
CID 174740968

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide (CID 112677148) is 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide is CCC(NCC1CC1)(C(N)=O)c1ccccc1F.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide?
The InChIKey is XKUHMONPXNAOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-14(13(16)18,17-9-10-7-8-10)11-5-3-4-6-12(11)15/h3-6,10,17H,2,7-9H2,1H3,(H2,16,18).
What are the key properties of 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide?
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide has a molecular weight of 250.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide is sourced from PubChem (CID 112677148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).