5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide

C18H20ClNO4 — CID 39854287

IUPAC5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H20ClNO4/c1-11(14-10-13(22-2)6-8-16(14)23-3)20-18(21)15-9-12(19)5-7-17(15)24-4/h5-11H,1-4H3,(H,20,21)/t11-/m0/s1
InChIKeyVSPOFIWTYIVMIM-NSHDSACASA-N
MW349.81 g/mol
LogP3.86
Rot. Bonds6

About 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide

5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide (PubChem CID 39854287) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
PubChem CID39854287
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H20ClNO4/c1-11(14-10-13(22-2)6-8-16(14)23-3)20-18(21)15-9-12(19)5-7-17(15)24-4/h5-11H,1-4H3,(H,20,21)/t11-/m0/s1
InChIKeyVSPOFIWTYIVMIM-NSHDSACASA-N
XLogP3.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19510063
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 133164699
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806776
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide (CID 39854287) is 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide is COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is VSPOFIWTYIVMIM-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11(14-10-13(22-2)6-8-16(14)23-3)20-18(21)15-9-12(19)5-7-17(15)24-4/h5-11H,1-4H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 349.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 39854287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).