3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride

C10H14ClFN2O — CID 75530834

IUPAC3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN)ccc1F.Cl
InChIInChI=1S/C10H13FN2O.ClH/c1-7-6-8(2-3-9(7)11)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyCMDMRPZKICMYME-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride

3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride (PubChem CID 75530834) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
PubChem CID75530834
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN)ccc1F.Cl
InChIInChI=1S/C10H13FN2O.ClH/c1-7-6-8(2-3-9(7)11)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyCMDMRPZKICMYME-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 76949808
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
3-amino-N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115180231
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62808750
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride (CID 75530834) is 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride is Cc1cc(NC(=O)CCN)ccc1F.Cl.
What is the InChIKey of 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride?
The InChIKey is CMDMRPZKICMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.ClH/c1-7-6-8(2-3-9(7)11)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride?
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride has a molecular weight of 232.69 g/mol, XLogP of 1.84, 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-3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 75530834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).