2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide

C13H16ClNO3 — CID 55048151

IUPAC2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(Cl)C(=O)NC2CC2)c1
InChIInChI=1S/C13H16ClNO3/c1-17-10-5-8(6-11(7-10)18-2)12(14)13(16)15-9-3-4-9/h5-7,9,12H,3-4H2,1-2H3,(H,15,16)
InChIKeyACJDBAWXWRQOGV-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.26
Rot. Bonds5

About 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide

2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 55048151) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID55048151
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(Cl)C(=O)NC2CC2)c1
InChIInChI=1S/C13H16ClNO3/c1-17-10-5-8(6-11(7-10)18-2)12(14)13(16)15-9-3-4-9/h5-7,9,12H,3-4H2,1-2H3,(H,15,16)
InChIKeyACJDBAWXWRQOGV-UHFFFAOYSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.26
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-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
CID 62224981
methyl (2R)-2-chloro-2-(3,5-dimethoxyphenyl)acetate
CID 94376627
2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
CID 60796181
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108564100
2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
CID 115525365
2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 103567041
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-chloro-N-cyclopropyl-2-(1-methylpyrazol-4-yl)acetamide
CID 62225884
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
CID 112515974
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide (CID 55048151) is 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(OC)cc(C(Cl)C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is ACJDBAWXWRQOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-17-10-5-8(6-11(7-10)18-2)12(14)13(16)15-9-3-4-9/h5-7,9,12H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide?
2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 269.73 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55048151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).