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

C18H20ClNO2 — CID 21367472

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-11-6-5-7-15(8-11)20-18(21)14(4)22-16-9-12(2)17(19)13(3)10-16/h5-10,14H,1-4H3,(H,20,21)
InChIKeyRUHNSXOHJHFODA-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide (PubChem CID 21367472) 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-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
PubChem CID21367472
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-11-6-5-7-15(8-11)20-18(21)14(4)22-16-9-12(2)17(19)13(3)10-16/h5-10,14H,1-4H3,(H,20,21)
InChIKeyRUHNSXOHJHFODA-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

(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
2-(2,4-dichloro-3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 15917901
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide (CID 21367472) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
The InChIKey is RUHNSXOHJHFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-6-5-7-15(8-11)20-18(21)14(4)22-16-9-12(2)17(19)13(3)10-16/h5-10,14H,1-4H3,(H,20,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-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-(3-methylphenyl)propanamide is sourced from PubChem (CID 21367472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).