N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide

C13H16FN3O2 — CID 82034301

IUPACN-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
SMILESNCCC(=O)Nc1cc(F)ccc1NC(=O)C1CC1
InChIInChI=1S/C13H16FN3O2/c14-9-3-4-10(17-13(19)8-1-2-8)11(7-9)16-12(18)5-6-15/h3-4,7-8H,1-2,5-6,15H2,(H,16,18)(H,17,19)
InChIKeyYPNDBIPROJHWKY-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide

N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide (PubChem CID 82034301) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
PubChem CID82034301
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
SMILESNCCC(=O)Nc1cc(F)ccc1NC(=O)C1CC1
InChIInChI=1S/C13H16FN3O2/c14-9-3-4-10(17-13(19)8-1-2-8)11(7-9)16-12(18)5-6-15/h3-4,7-8H,1-2,5-6,15H2,(H,16,18)(H,17,19)
InChIKeyYPNDBIPROJHWKY-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145
4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
CID 79526871
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
CID 39192948
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide (CID 82034301) is N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide is NCCC(=O)Nc1cc(F)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide?
The InChIKey is YPNDBIPROJHWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-9-3-4-10(17-13(19)8-1-2-8)11(7-9)16-12(18)5-6-15/h3-4,7-8H,1-2,5-6,15H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide?
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82034301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).