3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide

C13H18ClNO3 — CID 2764507

IUPAC3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)CCl)cc(OC)c1
InChIInChI=1S/C13H18ClNO3/c1-13(2,8-14)12(16)15-9-5-10(17-3)7-11(6-9)18-4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyDUSLEHJSBPZZFH-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.91
Rot. Bonds5

About 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide

3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 2764507) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
PubChem CID2764507
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)CCl)cc(OC)c1
InChIInChI=1S/C13H18ClNO3/c1-13(2,8-14)12(16)15-9-5-10(17-3)7-11(6-9)18-4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyDUSLEHJSBPZZFH-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
CID 63680730
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
3-chloro-N-methoxy-2,2-dimethylpropanamide
CID 55298436
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide (CID 2764507) is 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide is COc1cc(NC(=O)C(C)(C)CCl)cc(OC)c1.
What is the InChIKey of 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is DUSLEHJSBPZZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-13(2,8-14)12(16)15-9-5-10(17-3)7-11(6-9)18-4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide?
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 271.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2764507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).