3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide

C14H20ClNO — CID 115162405

IUPAC3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide
SMILESCc1cc(C)c(C)c(N(C)C(=O)CCCl)c1C
InChIInChI=1S/C14H20ClNO/c1-9-8-10(2)12(4)14(11(9)3)16(5)13(17)6-7-15/h8H,6-7H2,1-5H3
InChIKeyZAEGRYJOMHZWSM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds3

About 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide

3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide (PubChem CID 115162405) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide
PubChem CID115162405
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide
SMILESCc1cc(C)c(C)c(N(C)C(=O)CCCl)c1C
InChIInChI=1S/C14H20ClNO/c1-9-8-10(2)12(4)14(11(9)3)16(5)13(17)6-7-15/h8H,6-7H2,1-5H3
InChIKeyZAEGRYJOMHZWSM-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate
CID 115141898
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
CID 82080926
3-chloro-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115162496
N-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pentanamide
CID 115176780
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
1-amino-N-methyl-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115189693
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
N',N'-dimethyl-3-(2,3,5,6-tetramethylphenyl)propanehydrazide
CID 116847580
N-ethyl-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 131859942

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide?
The IUPAC name of 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide (CID 115162405) is 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide is Cc1cc(C)c(C)c(N(C)C(=O)CCCl)c1C.
What is the InChIKey of 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide?
The InChIKey is ZAEGRYJOMHZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-8-10(2)12(4)14(11(9)3)16(5)13(17)6-7-15/h8H,6-7H2,1-5H3.
What are the key properties of 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide?
3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide has a molecular weight of 253.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide is sourced from PubChem (CID 115162405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).