N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide

C12H17FN2O2 — CID 54980999

IUPACN-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
SMILESCCNC(=O)CN(C)c1ccc(CO)cc1F
InChIInChI=1S/C12H17FN2O2/c1-3-14-12(17)7-15(2)11-5-4-9(8-16)6-10(11)13/h4-6,16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeySLZFVNBJLFZFJO-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.89
Rot. Bonds5

About N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide

N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide (PubChem CID 54980999) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
PubChem CID54980999
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
SMILESCCNC(=O)CN(C)c1ccc(CO)cc1F
InChIInChI=1S/C12H17FN2O2/c1-3-14-12(17)7-15(2)11-5-4-9(8-16)6-10(11)13/h4-6,16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeySLZFVNBJLFZFJO-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide 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

[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 107690752
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 82978666
2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
CID 63059492
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
CID 114088970
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
2-(4-carbamothioyl-2-fluoro-N-methylanilino)-N-propylacetamide
CID 61452418
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
tert-butyl N-[2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]ethyl]-N-methylcarbamate
CID 164550044
2-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N,N-dimethylacetamide
CID 43375206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide?
The IUPAC name of N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide (CID 54980999) is N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide.
What is the SMILES notation for N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide?
The canonical SMILES for N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide is CCNC(=O)CN(C)c1ccc(CO)cc1F.
What is the InChIKey of N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide?
The InChIKey is SLZFVNBJLFZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-14-12(17)7-15(2)11-5-4-9(8-16)6-10(11)13/h4-6,16H,3,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide?
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide has a molecular weight of 240.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide is sourced from PubChem (CID 54980999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).