2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide

C17H18ClNO2 — CID 4931956

IUPAC2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Oc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-12(2)15(10-11)19-17(20)13(3)21-16-7-5-4-6-14(16)18/h4-10,13H,1-3H3,(H,19,20)
InChIKeyBGAPAGWBDXHKRT-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.36
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide

2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 4931956) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
PubChem CID4931956
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Oc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-12(2)15(10-11)19-17(20)13(3)21-16-7-5-4-6-14(16)18/h4-10,13H,1-3H3,(H,19,20)
InChIKeyBGAPAGWBDXHKRT-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
2-(2-chlorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 46581275
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 53266580
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide (CID 4931956) is 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)Oc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is BGAPAGWBDXHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-8-9-12(2)15(10-11)19-17(20)13(3)21-16-7-5-4-6-14(16)18/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide?
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 4931956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).