(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide

C18H20ClNO2 — CID 26546234

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H20ClNO2/c1-12-5-4-6-17(13(12)2)22-14(3)18(21)20-11-15-7-9-16(19)10-8-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyAMSTUEFNDAAJCD-AWEZNQCLSA-N
MW317.82 g/mol
LogP4.04
Rot. Bonds5

About (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 26546234) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID26546234
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H20ClNO2/c1-12-5-4-6-17(13(12)2)22-14(3)18(21)20-11-15-7-9-16(19)10-8-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyAMSTUEFNDAAJCD-AWEZNQCLSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767407
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 43077961
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide (CID 26546234) is (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1C.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is AMSTUEFNDAAJCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-5-4-6-17(13(12)2)22-14(3)18(21)20-11-15-7-9-16(19)10-8-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 26546234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).