4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide

C12H17FN2O — CID 81070633

IUPAC4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(F)ccc1NC(=O)CC(C)CN
InChIInChI=1S/C12H17FN2O/c1-8(7-14)5-12(16)15-11-4-3-10(13)6-9(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyKMQLKOMHJZAPDS-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.06
Rot. Bonds4

About 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide

4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide (PubChem CID 81070633) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
PubChem CID81070633
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(F)ccc1NC(=O)CC(C)CN
InChIInChI=1S/C12H17FN2O/c1-8(7-14)5-12(16)15-11-4-3-10(13)6-9(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyKMQLKOMHJZAPDS-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide (CID 81070633) is 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide is Cc1cc(F)ccc1NC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide?
The InChIKey is KMQLKOMHJZAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(7-14)5-12(16)15-11-4-3-10(13)6-9(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide?
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 81070633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).