2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C13H18ClNO2 — CID 43697668

IUPAC2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C(C)Cl
InChIInChI=1S/C13H18ClNO2/c1-8-5-6-12(17-4)11(7-8)10(3)15-13(16)9(2)14/h5-7,9-10H,1-4H3,(H,15,16)
InChIKeyBOFSSOODBNBZOD-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.81
Rot. Bonds4

About 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 43697668) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID43697668
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C(C)Cl
InChIInChI=1S/C13H18ClNO2/c1-8-5-6-12(17-4)11(7-8)10(3)15-13(16)9(2)14/h5-7,9-10H,1-4H3,(H,15,16)
InChIKeyBOFSSOODBNBZOD-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51647471
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 43697668) is 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1C(C)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is BOFSSOODBNBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-5-6-12(17-4)11(7-8)10(3)15-13(16)9(2)14/h5-7,9-10H,1-4H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 43697668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).