2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide

C14H21FN2O — CID 114831966

IUPAC2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCCC(C)NC(C)(Cc1ccccc1F)C(N)=O
InChIInChI=1S/C14H21FN2O/c1-4-10(2)17-14(3,13(16)18)9-11-7-5-6-8-12(11)15/h5-8,10,17H,4,9H2,1-3H3,(H2,16,18)
InChIKeySGTPZEQCXBPYBJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds6

About 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide

2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 114831966) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
PubChem CID114831966
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCCC(C)NC(C)(Cc1ccccc1F)C(N)=O
InChIInChI=1S/C14H21FN2O/c1-4-10(2)17-14(3,13(16)18)9-11-7-5-6-8-12(11)15/h5-8,10,17H,4,9H2,1-3H3,(H2,16,18)
InChIKeySGTPZEQCXBPYBJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831900
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
methyl 2-ethyl-4-(2-fluorophenyl)-3-hydroxy-3-methylbutanoate
CID 114834429
2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
CID 113388819
2-(tert-butylamino)-1-(2-fluorophenyl)-2,4,4-trimethylpentan-3-one
CID 71122525
2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
CID 54908455
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
2-[1-(2-fluorophenyl)propylamino]-2-methylpropanamide
CID 112676964
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256
3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 114831921
ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832099

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide (CID 114831966) is 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide is CCC(C)NC(C)(Cc1ccccc1F)C(N)=O.
What is the InChIKey of 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is SGTPZEQCXBPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-10(2)17-14(3,13(16)18)9-11-7-5-6-8-12(11)15/h5-8,10,17H,4,9H2,1-3H3,(H2,16,18).
What are the key properties of 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide?
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 114831966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).