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

C18H20ClNO2 — CID 40742791

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-7-12(2)9-16(8-11)22-14(4)18(21)20-17-10-15(19)6-5-13(17)3/h5-10,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyHHABHWDESJJOLF-CQSZACIVSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

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

(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 40742791) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID40742791
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-7-12(2)9-16(8-11)22-14(4)18(21)20-17-10-15(19)6-5-13(17)3/h5-10,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyHHABHWDESJJOLF-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)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133162812
2-(3,5-dichlorophenoxy)-N-(2-methylphenyl)propanamide
CID 112778065
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
4-chloro-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 9349829

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide (CID 40742791) is (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is HHABHWDESJJOLF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-7-12(2)9-16(8-11)22-14(4)18(21)20-17-10-15(19)6-5-13(17)3/h5-10,14H,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)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)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 40742791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).