CID 159969792

C19H23Cl2FN2O2 — CID 159969792

IUPAC—
SMILESC.CNC(=O)c1cc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)ccc1O.[3H]F
InChIInChI=1S/C18H18Cl2N2O2.CH4.FH/c1-21-18(24)13-5-10(3-4-17(13)23)14-8-22(2)9-15-12(14)6-11(19)7-16(15)20;;/h3-7,14,23H,8-9H2,1-2H3,(H,21,24);1H4;1H/i/hT
InChIKeyOEKAAONVYIZSSW-MNYXATJNSA-N
MW403.32 g/mol
LogP4.42
Rot. Bonds2

About CID 159969792

CID 159969792 (PubChem CID 159969792) has the molecular formula C19H23Cl2FN2O2 and a molecular weight of 403.32 g/mol.

Molecular Properties

Compound NameCID 159969792
PubChem CID159969792
Molecular FormulaC19H23Cl2FN2O2
Molecular Weight403.32 g/mol
Exact Mass402.12
IUPAC Name—
SMILESC.CNC(=O)c1cc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)ccc1O.[3H]F
InChIInChI=1S/C18H18Cl2N2O2.CH4.FH/c1-21-18(24)13-5-10(3-4-17(13)23)14-8-22(2)9-15-12(14)6-11(19)7-16(15)20;;/h3-7,14,23H,8-9H2,1-2H3,(H,21,24);1H4;1H/i/hT
InChIKeyOEKAAONVYIZSSW-MNYXATJNSA-N
XLogP4.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-(methylamino)acetamide
CID 10215836
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
CID 10178516
1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 159674949
1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1,3,3-trimethylurea
CID 22386870
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
1-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-methylsulfanylurea
CID 87633613
N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide
CID 142248514
4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenesulfonyl chloride;hydrochloride
CID 135207528
5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylbenzenesulfonyl chloride
CID 153293652
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 20806516
4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-methylsulfanylbenzenesulfonamide
CID 138593305
3-[[4-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]carbamoylamino]propanoic acid
CID 135244923

Frequently Asked Questions

What is the IUPAC name of CID 159969792?
The IUPAC name of CID 159969792 (CID 159969792) is not available.
What is the SMILES notation for CID 159969792?
The canonical SMILES for CID 159969792 is C.CNC(=O)c1cc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)ccc1O.[3H]F.
What is the InChIKey of CID 159969792?
The InChIKey is OEKAAONVYIZSSW-MNYXATJNSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2.CH4.FH/c1-21-18(24)13-5-10(3-4-17(13)23)14-8-22(2)9-15-12(14)6-11(19)7-16(15)20;;/h3-7,14,23H,8-9H2,1-2H3,(H,21,24);1H4;1H/i/hT.
What are the key properties of CID 159969792?
CID 159969792 has a molecular weight of 403.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159969792 is sourced from PubChem (CID 159969792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).