N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C13H18FNO — CID 91015016

IUPACN-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCN(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C13H18FNO/c1-4-15(13(16)10(2)3)9-11-5-7-12(14)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyKIAVOMUESHBAPD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.83
Rot. Bonds4

About N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 91015016) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID91015016
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCN(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C13H18FNO/c1-4-15(13(16)10(2)3)9-11-5-7-12(14)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyKIAVOMUESHBAPD-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide 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

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 24719644
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide
CID 60559393
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
3-[(4-fluorophenyl)methyl-propanoylamino]-2-methylpropanoic acid
CID 82323322
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133149574
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 91015016) is N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CCN(Cc1ccc(F)cc1)C(=O)C(C)C.
What is the InChIKey of N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is KIAVOMUESHBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-15(13(16)10(2)3)9-11-5-7-12(14)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 223.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 91015016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).