5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide

C13H16FN3O2 — CID 79386437

IUPAC5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
SMILESNc1ccc(F)c(C(=O)NCCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16FN3O2/c14-11-4-1-8(15)7-10(11)13(19)16-6-5-12(18)17-9-2-3-9/h1,4,7,9H,2-3,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyPRJIPSYMBSKWSP-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.81
Rot. Bonds5

About 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide

5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide (PubChem CID 79386437) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
PubChem CID79386437
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
SMILESNc1ccc(F)c(C(=O)NCCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16FN3O2/c14-11-4-1-8(15)7-10(11)13(19)16-6-5-12(18)17-9-2-3-9/h1,4,7,9H,2-3,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyPRJIPSYMBSKWSP-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793
2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
CID 60552301

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide (CID 79386437) is 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide is Nc1ccc(F)c(C(=O)NCCC(=O)NC2CC2)c1.
What is the InChIKey of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is PRJIPSYMBSKWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-4-1-8(15)7-10(11)13(19)16-6-5-12(18)17-9-2-3-9/h1,4,7,9H,2-3,5-6,15H2,(H,16,19)(H,17,18).
What are the key properties of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide?
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 265.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 79386437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).