[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate

C19H18FNO3 — CID 86812608

IUPAC[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)Oc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H18FNO3/c20-17-7-2-1-4-13(17)8-11-18(22)24-16-6-3-5-14(12-16)19(23)21-15-9-10-15/h1-7,12,15H,8-11H2,(H,21,23)
InChIKeyVIGJILJCFDXGRP-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.26
Rot. Bonds6

About [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate

[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate (PubChem CID 86812608) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Name[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
PubChem CID86812608
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)Oc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H18FNO3/c20-17-7-2-1-4-13(17)8-11-18(22)24-16-6-3-5-14(12-16)19(23)21-15-9-10-15/h1-7,12,15H,8-11H2,(H,21,23)
InChIKeyVIGJILJCFDXGRP-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108926954
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide
CID 91518477
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 87006531
[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate
CID 87006539
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011
[3-[[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927489
[3-(ethoxycarbonylamino)phenyl] 3-(2-fluorophenyl)propanoate
CID 51182446
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate?
The IUPAC name of [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate (CID 86812608) is [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate.
What is the SMILES notation for [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate?
The canonical SMILES for [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate is O=C(CCc1ccccc1F)Oc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate?
The InChIKey is VIGJILJCFDXGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-17-7-2-1-4-13(17)8-11-18(22)24-16-6-3-5-14(12-16)19(23)21-15-9-10-15/h1-7,12,15H,8-11H2,(H,21,23).
What are the key properties of [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate?
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate has a molecular weight of 327.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 86812608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).