2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide

C19H18ClFN2O — CID 120881626

IUPAC2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O/c20-13-3-1-2-11(8-13)15-9-16(15)19(24)23-17-5-4-12-10-22-7-6-14(12)18(17)21/h1-5,8,15-16,22H,6-7,9-10H2,(H,23,24)
InChIKeyFZSVQVPBZMLGMS-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.87
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide (PubChem CID 120881626) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
PubChem CID120881626
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O/c20-13-3-1-2-11(8-13)15-9-16(15)19(24)23-17-5-4-12-10-22-7-6-14(12)18(17)21/h1-5,8,15-16,22H,6-7,9-10H2,(H,23,24)
InChIKeyFZSVQVPBZMLGMS-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide (CID 120881626) is 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide?
The InChIKey is FZSVQVPBZMLGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-13-3-1-2-11(8-13)15-9-16(15)19(24)23-17-5-4-12-10-22-7-6-14(12)18(17)21/h1-5,8,15-16,22H,6-7,9-10H2,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 120881626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).