3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C19H20ClNO3 — CID 2671208

IUPAC3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(Cl)c1OC
InChIInChI=1S/C19H20ClNO3/c1-23-17-11-13(10-15(20)18(17)24-2)19(22)21-16-9-5-7-12-6-3-4-8-14(12)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyXYMZHHSLCQGYDK-INIZCTEOSA-N
MW345.83 g/mol
LogP4.16
Rot. Bonds4

About 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 2671208) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID2671208
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(Cl)c1OC
InChIInChI=1S/C19H20ClNO3/c1-23-17-11-13(10-15(20)18(17)24-2)19(22)21-16-9-5-7-12-6-3-4-8-14(12)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyXYMZHHSLCQGYDK-INIZCTEOSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 2557479
5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777520
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 42887665
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088
2-(2-chloro-4,5-dimethoxyanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42893836

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 2671208) is 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is XYMZHHSLCQGYDK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-23-17-11-13(10-15(20)18(17)24-2)19(22)21-16-9-5-7-12-6-3-4-8-14(12)16/h3-4,6,8,10-11,16H,5,7,9H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 2671208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).