N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide

C19H17ClN2O2 — CID 129170071

IUPACN-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1=NCC2C=C(Oc3cccc(Cl)c3)C=CC2=C1)C1CC1
InChIInChI=1S/C19H17ClN2O2/c20-15-2-1-3-16(10-15)24-17-7-6-13-9-18(21-11-14(13)8-17)22-19(23)12-4-5-12/h1-3,6-10,12,14H,4-5,11H2,(H,21,22,23)
InChIKeyLGFODWKBAWVDHG-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.65
Rot. Bonds3

About N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 129170071) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID129170071
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1=NCC2C=C(Oc3cccc(Cl)c3)C=CC2=C1)C1CC1
InChIInChI=1S/C19H17ClN2O2/c20-15-2-1-3-16(10-15)24-17-7-6-13-9-18(21-11-14(13)8-17)22-19(23)12-4-5-12/h1-3,6-10,12,14H,4-5,11H2,(H,21,22,23)
InChIKeyLGFODWKBAWVDHG-UHFFFAOYSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 143620601
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
CID 112815872
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide (CID 129170071) is N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide is O=C(NC1=NCC2C=C(Oc3cccc(Cl)c3)C=CC2=C1)C1CC1.
What is the InChIKey of N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is LGFODWKBAWVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-15-2-1-3-16(10-15)24-17-7-6-13-9-18(21-11-14(13)8-17)22-19(23)12-4-5-12/h1-3,6-10,12,14H,4-5,11H2,(H,21,22,23).
What are the key properties of N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-chlorophenoxy)-1,8a-dihydroisoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 129170071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).