3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide

C13H18FN3O2 — CID 103106395

IUPAC3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H18FN3O2/c1-4-17(3)13(19)8(2)16-12(18)9-5-6-10(14)11(15)7-9/h5-8H,4,15H2,1-3H3,(H,16,18)
InChIKeyQVIRDTSNLOQSJW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.00
Rot. Bonds4

About 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide

3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 103106395) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID103106395
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H18FN3O2/c1-4-17(3)13(19)8(2)16-12(18)9-5-6-10(14)11(15)7-9/h5-8H,4,15H2,1-3H3,(H,16,18)
InChIKeyQVIRDTSNLOQSJW-UHFFFAOYSA-N
XLogP1.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide 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-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate
CID 171703685
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
CID 103106429
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
3-amino-4-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223471
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide (CID 103106395) is 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide is CCN(C)C(=O)C(C)NC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is QVIRDTSNLOQSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-4-17(3)13(19)8(2)16-12(18)9-5-6-10(14)11(15)7-9/h5-8H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide?
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 103106395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).