N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide

C13H18FN3O2 — CID 62660729

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C13H18FN3O2/c1-4-16-10-8(6-5-7-9(10)14)11(18)17-13(2,3)12(15)19/h5-7,16H,4H2,1-3H3,(H2,15,19)(H,17,18)
InChIKeyNKWMDFFJRSZRLH-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.25
Rot. Bonds5

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62660729) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
PubChem CID62660729
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C13H18FN3O2/c1-4-16-10-8(6-5-7-9(10)14)11(18)17-13(2,3)12(15)19/h5-7,16H,4H2,1-3H3,(H2,15,19)(H,17,18)
InChIKeyNKWMDFFJRSZRLH-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-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

N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471
2-(ethylamino)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357366
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
CID 106342576
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62662474
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide (CID 62660729) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)NC(C)(C)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is NKWMDFFJRSZRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-4-16-10-8(6-5-7-9(10)14)11(18)17-13(2,3)12(15)19/h5-7,16H,4H2,1-3H3,(H2,15,19)(H,17,18).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62660729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).