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

C10H13FN2O — CID 16788158

IUPAC3-amino-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCN
InChIInChI=1S/C10H13FN2O/c1-7-6-8(11)2-3-9(7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyJPBUXUZPRQZQEP-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.42
Rot. Bonds3

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

3-amino-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 16788158) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID16788158
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name3-amino-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCN
InChIInChI=1S/C10H13FN2O/c1-7-6-8(11)2-3-9(7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyJPBUXUZPRQZQEP-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-methylphenyl)propanamide (CID 16788158) is 3-amino-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-methylphenyl)propanamide is Cc1cc(F)ccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is JPBUXUZPRQZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7-6-8(11)2-3-9(7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(4-fluoro-2-methylphenyl)propanamide?
3-amino-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 196.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 16788158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).