propyl 3-[(3-fluorobenzoyl)amino]propanoate

C13H16FNO3 — CID 91711851

IUPACpropyl 3-[(3-fluorobenzoyl)amino]propanoate
SMILESCCCOC(=O)CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-2-8-18-12(16)6-7-15-13(17)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3,(H,15,17)
InChIKeyJYZGENXNIZQTKS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.90
Rot. Bonds6

About propyl 3-[(3-fluorobenzoyl)amino]propanoate

propyl 3-[(3-fluorobenzoyl)amino]propanoate (PubChem CID 91711851) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is propyl 3-[(3-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namepropyl 3-[(3-fluorobenzoyl)amino]propanoate
PubChem CID91711851
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namepropyl 3-[(3-fluorobenzoyl)amino]propanoate
SMILESCCCOC(=O)CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-2-8-18-12(16)6-7-15-13(17)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3,(H,15,17)
InChIKeyJYZGENXNIZQTKS-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71651
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CID 4402710
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Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
N-Isopropylbenzamide
CID 79503
N-(2-Methylpropyl)benzamide
CID 95140
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
4-Formyl-N-(1-methylethyl)benzamide
CID 83270
Ethyl Hippurate
CID 226558

Frequently Asked Questions

What is the IUPAC name of propyl 3-[(3-fluorobenzoyl)amino]propanoate?
The IUPAC name of propyl 3-[(3-fluorobenzoyl)amino]propanoate (CID 91711851) is propyl 3-[(3-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for propyl 3-[(3-fluorobenzoyl)amino]propanoate?
The canonical SMILES for propyl 3-[(3-fluorobenzoyl)amino]propanoate is CCCOC(=O)CCNC(=O)c1cccc(F)c1.
What is the InChIKey of propyl 3-[(3-fluorobenzoyl)amino]propanoate?
The InChIKey is JYZGENXNIZQTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-2-8-18-12(16)6-7-15-13(17)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3,(H,15,17).
What are the key properties of propyl 3-[(3-fluorobenzoyl)amino]propanoate?
propyl 3-[(3-fluorobenzoyl)amino]propanoate has a molecular weight of 253.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[(3-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 91711851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).