2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide

C13H18FN3O2 — CID 60962629

IUPAC2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H18FN3O2/c1-8(2)6-17(7-12(16)18)13(19)10-5-9(14)3-4-11(10)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,18)
InChIKeyOUQOMJLWOZOUOP-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide

2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 60962629) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
PubChem CID60962629
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H18FN3O2/c1-8(2)6-17(7-12(16)18)13(19)10-5-9(14)3-4-11(10)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,18)
InChIKeyOUQOMJLWOZOUOP-UHFFFAOYSA-N
XLogP0.99
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide 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

5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide (CID 60962629) is 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CC(N)=O)C(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is OUQOMJLWOZOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(2)6-17(7-12(16)18)13(19)10-5-9(14)3-4-11(10)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide?
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 267.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60962629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).