N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide

C18H20ClNO2 — CID 112787380

IUPACN-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-13-11-16(19)9-10-17(13)22-14(2)18(21)20(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3
InChIKeyOBGHBHGUFRHVNJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide

N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide (PubChem CID 112787380) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
PubChem CID112787380
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-13-11-16(19)9-10-17(13)22-14(2)18(21)20(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3
InChIKeyOBGHBHGUFRHVNJ-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511419
2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509742
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 43032860
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 42967374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide (CID 112787380) is N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide is Cc1cc(Cl)ccc1OC(C)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide?
The InChIKey is OBGHBHGUFRHVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-11-16(19)9-10-17(13)22-14(2)18(21)20(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3.
What are the key properties of N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide?
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide has a molecular weight of 317.82 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 112787380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).