(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide

C18H20ClNO2 — CID 26542487

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-11-6-5-7-12(2)17(11)20-18(21)14(4)22-15-8-9-16(19)13(3)10-15/h5-10,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyYXJKNIOPOYQNSS-CQSZACIVSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 26542487) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
PubChem CID26542487
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-11-6-5-7-12(2)17(11)20-18(21)14(4)22-15-8-9-16(19)13(3)10-15/h5-10,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyYXJKNIOPOYQNSS-CQSZACIVSA-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

(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 53288807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide (CID 26542487) is (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide is Cc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is YXJKNIOPOYQNSS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-6-5-7-12(2)17(11)20-18(21)14(4)22-15-8-9-16(19)13(3)10-15/h5-10,14H,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)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 (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 26542487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).