2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide

C18H20ClNO2 — CID 19191588

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-7-5-6-8-16(11)20-18(21)14(4)22-15-9-12(2)17(19)13(3)10-15/h5-10,14H,1-4H3,(H,20,21)
InChIKeyMANCHBZUNHHWPZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide (PubChem CID 19191588) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
PubChem CID19191588
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-7-5-6-8-16(11)20-18(21)14(4)22-15-9-12(2)17(19)13(3)10-15/h5-10,14H,1-4H3,(H,20,21)
InChIKeyMANCHBZUNHHWPZ-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenoxy)-N-(2-methylphenyl)propanamide
CID 112778065
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 21173368
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
CID 20895141
(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
CID 1008812
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide (CID 19191588) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide?
The InChIKey is MANCHBZUNHHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-7-5-6-8-16(11)20-18(21)14(4)22-15-9-12(2)17(19)13(3)10-15/h5-10,14H,1-4H3,(H,20,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 19191588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).