(3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone

C19H15ClFNO2 — CID 58759652

IUPAC(3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)oc2cc3c(c(Cl)c12)CCCC3
InChIInChI=1S/C19H15ClFNO2/c20-16-11-6-2-1-5-10(11)9-14-15(16)17(22)19(24-14)18(23)12-7-3-4-8-13(12)21/h3-4,7-9H,1-2,5-6,22H2
InChIKeyRFLIURWONSEFAQ-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.92
Rot. Bonds2

About (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone

(3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone (PubChem CID 58759652) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
PubChem CID58759652
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name(3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)oc2cc3c(c(Cl)c12)CCCC3
InChIInChI=1S/C19H15ClFNO2/c20-16-11-6-2-1-5-10(11)9-14-15(16)17(22)19(24-14)18(23)12-7-3-4-8-13(12)21/h3-4,7-9H,1-2,5-6,22H2
InChIKeyRFLIURWONSEFAQ-UHFFFAOYSA-N
XLogP4.92
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone (CID 58759652) is (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone is Nc1c(C(=O)c2ccccc2F)oc2cc3c(c(Cl)c12)CCCC3.
What is the InChIKey of (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is RFLIURWONSEFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c20-16-11-6-2-1-5-10(11)9-14-15(16)17(22)19(24-14)18(23)12-7-3-4-8-13(12)21/h3-4,7-9H,1-2,5-6,22H2.
What are the key properties of (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
(3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 343.79 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 58759652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).