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

C13H18ClNO3 — CID 51683041

IUPAC(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-8(14)13(16)15-9(2)11-7-10(17-3)5-6-12(11)18-4/h5-9H,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyFPWVMSYDJHLVBY-BDAKNGLRSA-N
MW271.74 g/mol
LogP2.51
Rot. Bonds5

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

(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 51683041) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID51683041
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Cl)c1
InChIInChI=1S/C13H18ClNO3/c1-8(14)13(16)15-9(2)11-7-10(17-3)5-6-12(11)18-4/h5-9H,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyFPWVMSYDJHLVBY-BDAKNGLRSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
CID 94666737
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2-butylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 134037876
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133264453
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 51683041) is (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Cl)c1.
What is the InChIKey of (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is FPWVMSYDJHLVBY-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(14)13(16)15-9(2)11-7-10(17-3)5-6-12(11)18-4/h5-9H,1-4H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide?
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 271.74 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 51683041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).