N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide

C14H21FN2O — CID 115158349

IUPACN-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)CCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-11(2)16-10-14(18)17(3)9-8-12-6-4-5-7-13(12)15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyDGRKWIXNPUDRLA-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide

N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide (PubChem CID 115158349) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
PubChem CID115158349
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)CCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-11(2)16-10-14(18)17(3)9-8-12-6-4-5-7-13(12)15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyDGRKWIXNPUDRLA-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)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

2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187422
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide (CID 115158349) is N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(C)CCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The InChIKey is DGRKWIXNPUDRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(2)16-10-14(18)17(3)9-8-12-6-4-5-7-13(12)15/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide has a molecular weight of 252.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).