2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide

C12H17FN2O — CID 79796502

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-12(2,14)11(16)15-8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyCSQRIVSWJIHEKR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide

2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide (PubChem CID 79796502) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
PubChem CID79796502
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-12(2,14)11(16)15-8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyCSQRIVSWJIHEKR-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
ethyl 2,2-difluoro-3-[(2-fluorophenyl)methylamino]-3-oxopropanoate
CID 112743058
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
3-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108962428
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide (CID 79796502) is 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide?
The InChIKey is CSQRIVSWJIHEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-12(2,14)11(16)15-8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide?
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 79796502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).