N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide

C11H15FN2O — CID 43388450

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-8-3-4-9(5-10(8)12)6-14-11(15)7-13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyYUZHZZREWPBSCT-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.97
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide (PubChem CID 43388450) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
PubChem CID43388450
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-8-3-4-9(5-10(8)12)6-14-11(15)7-13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyYUZHZZREWPBSCT-UHFFFAOYSA-N
XLogP0.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 43467079
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 32896978
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 119777512
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43394169
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide (CID 43388450) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is YUZHZZREWPBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-3-4-9(5-10(8)12)6-14-11(15)7-13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 210.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 43388450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).