[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone

C15H13ClFNO — CID 103047356

IUPAC[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
SMILESO=C(c1ccn(Cc2cc(Cl)ccc2F)c1)C1CC1
InChIInChI=1S/C15H13ClFNO/c16-13-3-4-14(17)12(7-13)9-18-6-5-11(8-18)15(19)10-1-2-10/h3-8,10H,1-2,9H2
InChIKeyFJSQIQCNPZOLLN-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.92
Rot. Bonds4

About [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone

[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone (PubChem CID 103047356) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
PubChem CID103047356
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
SMILESO=C(c1ccn(Cc2cc(Cl)ccc2F)c1)C1CC1
InChIInChI=1S/C15H13ClFNO/c16-13-3-4-14(17)12(7-13)9-18-6-5-11(8-18)15(19)10-1-2-10/h3-8,10H,1-2,9H2
InChIKeyFJSQIQCNPZOLLN-UHFFFAOYSA-N
XLogP3.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone?
The IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone (CID 103047356) is [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone?
The canonical SMILES for [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone is O=C(c1ccn(Cc2cc(Cl)ccc2F)c1)C1CC1.
What is the InChIKey of [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone?
The InChIKey is FJSQIQCNPZOLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-3-4-14(17)12(7-13)9-18-6-5-11(8-18)15(19)10-1-2-10/h3-8,10H,1-2,9H2.
What are the key properties of [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone?
[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone has a molecular weight of 277.73 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 103047356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).