(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide

C19H22ClNO2 — CID 92680001

IUPAC(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO2/c1-12-9-13(2)14(3)18(10-12)23-15(4)19(22)21-11-16-5-7-17(20)8-6-16/h5-10,15H,11H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyMXEIWSFGZCWDBG-OAHLLOKOSA-N
MW331.84 g/mol
LogP4.35
Rot. Bonds5

About (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 92680001) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID92680001
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO2/c1-12-9-13(2)14(3)18(10-12)23-15(4)19(22)21-11-16-5-7-17(20)8-6-16/h5-10,15H,11H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyMXEIWSFGZCWDBG-OAHLLOKOSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 92680001) is (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is MXEIWSFGZCWDBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-12-9-13(2)14(3)18(10-12)23-15(4)19(22)21-11-16-5-7-17(20)8-6-16/h5-10,15H,11H2,1-4H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 92680001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).