methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate

C13H16FNO3 — CID 54898552

IUPACmethyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-3-15(8-7-12(16)18-2)13(17)10-5-4-6-11(14)9-10/h4-6,9H,3,7-8H2,1-2H3
InChIKeyIDUJNRSQKIWGCR-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.85
Rot. Bonds5

About methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate

methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate (PubChem CID 54898552) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
PubChem CID54898552
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-3-15(8-7-12(16)18-2)13(17)10-5-4-6-11(14)9-10/h4-6,9H,3,7-8H2,1-2H3
InChIKeyIDUJNRSQKIWGCR-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
methyl 3-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 61007496
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
3-[(3-carbamoylbenzoyl)-ethylamino]propanoic acid
CID 61006679

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate (CID 54898552) is methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)c1cccc(F)c1.
What is the InChIKey of methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate?
The InChIKey is IDUJNRSQKIWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-3-15(8-7-12(16)18-2)13(17)10-5-4-6-11(14)9-10/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate?
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate has a molecular weight of 253.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 54898552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).