2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide

C14H21FN2O — CID 86976781

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(2)8-16-14(18)10-17(3)9-12-5-4-6-13(15)7-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyIGBOPCARIOOIPO-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.03
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide

2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 86976781) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID86976781
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(2)8-16-14(18)10-17(3)9-12-5-4-6-13(15)7-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyIGBOPCARIOOIPO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)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-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107878631
N-(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18124279
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18088031
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
2-[(2-cyano-5-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107902919
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580
N-(2-cyano-3-methylbutan-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 78621363
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 86976781) is 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is IGBOPCARIOOIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(2)8-16-14(18)10-17(3)9-12-5-4-6-13(15)7-12/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 86976781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).