2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide

C13H16FN3O2 — CID 79400649

IUPAC2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C13H16FN3O2/c14-8-1-4-10(11(15)7-8)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)
InChIKeyPSUKQJGWSDHSEF-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide

2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide (PubChem CID 79400649) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
PubChem CID79400649
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C13H16FN3O2/c14-8-1-4-10(11(15)7-8)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)
InChIKeyPSUKQJGWSDHSEF-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

5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide
CID 96506293
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide (CID 79400649) is 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is PSUKQJGWSDHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-8-1-4-10(11(15)7-8)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 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide?
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-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 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 79400649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).