2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate

C19H18FNO4 — CID 42986213

IUPAC2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
SMILESO=C(OCCOc1ccccc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18FNO4/c20-16-3-1-2-4-17(16)24-11-12-25-19(23)14-7-9-15(10-8-14)21-18(22)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,22)
InChIKeyDLCUTIBYWUXNDD-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.41
Rot. Bonds7

About 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate

2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 42986213) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
PubChem CID42986213
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
SMILESO=C(OCCOc1ccccc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18FNO4/c20-16-3-1-2-4-17(16)24-11-12-25-19(23)14-7-9-15(10-8-14)21-18(22)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,22)
InChIKeyDLCUTIBYWUXNDD-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 121062403
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
2-ethylsulfanylethyl 4-(cyclopropanecarbonylamino)benzoate
CID 47362257
(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 31729487
(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 46669660
2-(2-fluorophenoxy)ethyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881604
2-(2-fluorophenoxy)ethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 7830613
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate (CID 42986213) is 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate is O=C(OCCOc1ccccc1F)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is DLCUTIBYWUXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-16-3-1-2-4-17(16)24-11-12-25-19(23)14-7-9-15(10-8-14)21-18(22)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,22).
What are the key properties of 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate?
2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 343.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 42986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).