3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide

C11H13FN2O2 — CID 158545283

IUPAC3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide
SMILESCc1ccc(F)cc1CNC(=O)C(=O)CN
InChIInChI=1S/C11H13FN2O2/c1-7-2-3-9(12)4-8(7)6-14-11(16)10(15)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)
InChIKeyXZCOFGZWJUZZSR-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.28
Rot. Bonds4

About 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide

3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide (PubChem CID 158545283) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide
PubChem CID158545283
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide
SMILESCc1ccc(F)cc1CNC(=O)C(=O)CN
InChIInChI=1S/C11H13FN2O2/c1-7-2-3-9(12)4-8(7)6-14-11(16)10(15)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)
InChIKeyXZCOFGZWJUZZSR-UHFFFAOYSA-N
XLogP0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
CID 145231296
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide?
The IUPAC name of 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide (CID 158545283) is 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide?
The canonical SMILES for 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide is Cc1ccc(F)cc1CNC(=O)C(=O)CN.
What is the InChIKey of 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide?
The InChIKey is XZCOFGZWJUZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7-2-3-9(12)4-8(7)6-14-11(16)10(15)5-13/h2-4H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide?
3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide has a molecular weight of 224.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 158545283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).