2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide

C14H21FN2O — CID 78791314

IUPAC2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-17(10-14(18)16-11(2)3)9-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyGEXVWGSCTGPUEM-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.17
Rot. Bonds6

About 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 78791314) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID78791314
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-17(10-14(18)16-11(2)3)9-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyGEXVWGSCTGPUEM-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide 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-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 95907538
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54941727
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 51182582
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide (CID 78791314) is 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is GEXVWGSCTGPUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-17(10-14(18)16-11(2)3)9-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 252.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 78791314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).