3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide

C19H22ClNO3 — CID 31948443

IUPAC3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO3/c1-13(17-12-16(23-2)9-10-18(17)24-3)21-19(22)11-6-14-4-7-15(20)8-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyGSICXKLWFOEYET-CYBMUJFWSA-N
MW347.84 g/mol
LogP4.17
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide

3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 31948443) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID31948443
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO3/c1-13(17-12-16(23-2)9-10-18(17)24-3)21-19(22)11-6-14-4-7-15(20)8-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyGSICXKLWFOEYET-CYBMUJFWSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 43077905
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 85020010
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
CID 112515048
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 31948443) is 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is GSICXKLWFOEYET-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(17-12-16(23-2)9-10-18(17)24-3)21-19(22)11-6-14-4-7-15(20)8-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 31948443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).