2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide

C13H18ClNO3 — CID 55048004

IUPAC2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(C(Cl)C(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C13H18ClNO3/c1-8(2)15-13(16)12(14)10-6-5-9(17-3)7-11(10)18-4/h5-8,12H,1-4H3,(H,15,16)
InChIKeyALHMFDFHUXRQSA-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide

2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 55048004) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
PubChem CID55048004
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(C(Cl)C(=O)NC(C)C)c(OC)c1
InChIInChI=1S/C13H18ClNO3/c1-8(2)15-13(16)12(14)10-6-5-9(17-3)7-11(10)18-4/h5-8,12H,1-4H3,(H,15,16)
InChIKeyALHMFDFHUXRQSA-UHFFFAOYSA-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-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010
2-(2,4-dimethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848082
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
CID 62226434
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide (CID 55048004) is 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide is COc1ccc(C(Cl)C(=O)NC(C)C)c(OC)c1.
What is the InChIKey of 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is ALHMFDFHUXRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(2)15-13(16)12(14)10-6-5-9(17-3)7-11(10)18-4/h5-8,12H,1-4H3,(H,15,16).
What are the key properties of 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide 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 2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 55048004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).