3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide

C12H17FN2O — CID 64678036

IUPAC3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
SMILESCc1c(F)cccc1NC(=O)CC(C)(C)N
InChIInChI=1S/C12H17FN2O/c1-8-9(13)5-4-6-10(8)15-11(16)7-12(2,3)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyRCABFZLPSSIEQV-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide

3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide (PubChem CID 64678036) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
PubChem CID64678036
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
SMILESCc1c(F)cccc1NC(=O)CC(C)(C)N
InChIInChI=1S/C12H17FN2O/c1-8-9(13)5-4-6-10(8)15-11(16)7-12(2,3)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyRCABFZLPSSIEQV-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
CID 64678372
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
2-[(3-amino-3-methylbutanoyl)amino]-4,5-difluorobenzoic acid
CID 64679134
4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 63324007
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
2-[(3-fluoro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536988
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide (CID 64678036) is 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide is Cc1c(F)cccc1NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide?
The InChIKey is RCABFZLPSSIEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-9(13)5-4-6-10(8)15-11(16)7-12(2,3)14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide?
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 64678036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).