N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide

C18H18Cl2N2O2 — CID 59682845

IUPACN-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2NC(=O)CO)C1
InChIInChI=1S/C18H18Cl2N2O2/c1-22-8-14(13-6-11(19)7-16(20)15(13)9-22)12-4-2-3-5-17(12)21-18(24)10-23/h2-7,14,23H,8-10H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyPPPVAVKCGMJBKM-AWEZNQCLSA-N
MW365.26 g/mol
LogP3.50
Rot. Bonds3

About N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide

N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide (PubChem CID 59682845) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide
PubChem CID59682845
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2NC(=O)CO)C1
InChIInChI=1S/C18H18Cl2N2O2/c1-22-8-14(13-6-11(19)7-16(20)15(13)9-22)12-4-2-3-5-17(12)21-18(24)10-23/h2-7,14,23H,8-10H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyPPPVAVKCGMJBKM-AWEZNQCLSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide with MolForge

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Related Compounds

3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]-2-(dimethylamino)-4-hydroxycyclobut-2-en-1-one
CID 163658602
N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10111766
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10135771
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10294567
4-[2-((r)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl]-morpholine-3,5-dione trifluoroacetic acid salt
CID 66865001
{[2-((r)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylcarbamoyl]-methoxy}acetic acid trifluoroacetic acid salt
CID 66865118
[2-[2-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]-2-oxoethoxy]acetyl] 2,2,2-trifluoroacetate
CID 87183528
N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-difluoroacetamide
CID 142248505
N-[2-(2,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)phenyl]-2-hydroxyacetamide;ethane;N-ethyl-N-methylethanamine;methylcyclobutane
CID 143426368
2-amino-N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide;2,2,2-trifluoroacetaldehyde
CID 157943963
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetaldehyde
CID 158141008
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-(dimethylamino)acetamide;2,2,2-trifluoroacetaldehyde
CID 158579933

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide (CID 59682845) is N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2NC(=O)CO)C1.
What is the InChIKey of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide?
The InChIKey is PPPVAVKCGMJBKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-22-8-14(13-6-11(19)7-16(20)15(13)9-22)12-4-2-3-5-17(12)21-18(24)10-23/h2-7,14,23H,8-10H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide?
N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide has a molecular weight of 365.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 59682845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).