5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide

C21H25ClN2O2 — CID 139612767

IUPAC5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide
SMILESCCCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H25ClN2O2/c1-3-10-24-14-16-7-5-4-6-15(16)11-18(24)13-23-21(25)19-12-17(22)8-9-20(19)26-2/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyGJJPZVHEOYJDPH-SFHVURJKSA-N
MW372.90 g/mol
LogP3.92
Rot. Bonds6

About 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide

5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide (PubChem CID 139612767) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide
PubChem CID139612767
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide
SMILESCCCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H25ClN2O2/c1-3-10-24-14-16-7-5-4-6-15(16)11-18(24)13-23-21(25)19-12-17(22)8-9-20(19)26-2/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyGJJPZVHEOYJDPH-SFHVURJKSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[(3R)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,5-dimethoxybenzamide
CID 139612771
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-[[(3S)-2-butyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-2,2-dimethyl-5-methylsulfanyl-3H-1-benzofuran-7-carboxamide
CID 139612815
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
5-chloro-N-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-2-methoxybenzamide
CID 98773806
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 16810739
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide (CID 139612767) is 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide is CCCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide?
The InChIKey is GJJPZVHEOYJDPH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-10-24-14-16-7-5-4-6-15(16)11-18(24)13-23-21(25)19-12-17(22)8-9-20(19)26-2/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide?
5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[(3S)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]benzamide is sourced from PubChem (CID 139612767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).