2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide

C14H19FN2O — CID 114831942

IUPAC2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1cccc(F)c1)(NCC1CC1)C(N)=O
InChIInChI=1S/C14H19FN2O/c1-14(13(16)18,17-9-10-5-6-10)8-11-3-2-4-12(15)7-11/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,18)
InChIKeyWGCXNWGUEMNOOI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.61
Rot. Bonds6

About 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide

2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide (PubChem CID 114831942) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
PubChem CID114831942
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1cccc(F)c1)(NCC1CC1)C(N)=O
InChIInChI=1S/C14H19FN2O/c1-14(13(16)18,17-9-10-5-6-10)8-11-3-2-4-12(15)7-11/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,18)
InChIKeyWGCXNWGUEMNOOI-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
CID 10587890
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide
CID 142459335
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
1-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111869556
2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
CID 54892277

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide (CID 114831942) is 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide is CC(Cc1cccc(F)c1)(NCC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide?
The InChIKey is WGCXNWGUEMNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(13(16)18,17-9-10-5-6-10)8-11-3-2-4-12(15)7-11/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,16,18).
What are the key properties of 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide?
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide has a molecular weight of 250.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 114831942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).