2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide

C13H18FN3O — CID 55142391

IUPAC2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
SMILESCN(CCNC(=O)c1cccc(F)c1N)C1CC1
InChIInChI=1S/C13H18FN3O/c1-17(9-5-6-9)8-7-16-13(18)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8,15H2,1H3,(H,16,18)
InChIKeyZOHQBAJUWRVSFL-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.23
Rot. Bonds5

About 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide (PubChem CID 55142391) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
PubChem CID55142391
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
SMILESCN(CCNC(=O)c1cccc(F)c1N)C1CC1
InChIInChI=1S/C13H18FN3O/c1-17(9-5-6-9)8-7-16-13(18)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8,15H2,1H3,(H,16,18)
InChIKeyZOHQBAJUWRVSFL-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
CID 62060153
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 79517609
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide (CID 55142391) is 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide is CN(CCNC(=O)c1cccc(F)c1N)C1CC1.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide?
The InChIKey is ZOHQBAJUWRVSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-17(9-5-6-9)8-7-16-13(18)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide?
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide has a molecular weight of 251.30 g/mol, XLogP of 1.23, 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-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 55142391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).