N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide

C17H18ClNO2 — CID 18801072

IUPACN-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(2,3)16(20)19-14-6-4-5-7-15(14)21-13-10-8-12(18)9-11-13/h4-11H,1-3H3,(H,19,20)
InChIKeyCLAKLBXBJFDOMB-UHFFFAOYSA-N
MW303.79 g/mol
LogP5.12
Rot. Bonds3

About N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide

N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 18801072) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID18801072
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(2,3)16(20)19-14-6-4-5-7-15(14)21-13-10-8-12(18)9-11-13/h4-11H,1-3H3,(H,19,20)
InChIKeyCLAKLBXBJFDOMB-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.79
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
CID 98791
o-Ethoxyacetanilide
CID 11383
6-Chloro-2H-1,4-benzoxazin-3(4H)-one
CID 309259
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
2-Phenoxyacetanilide
CID 897080
Zinc00711147
CID 1039828
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
CID 22035
N-(2-chlorophenyl)-2-phenoxyacetamide
CID 309534
N-(2-methoxyphenyl)-2-phenoxyacetamide
CID 721262
N-(4-(2,4-Dichlorophenoxy)phenyl)acetamide
CID 3017018

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide (CID 18801072) is N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CLAKLBXBJFDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2,3)16(20)19-14-6-4-5-7-15(14)21-13-10-8-12(18)9-11-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide?
N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 303.79 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18801072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).