(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

C19H22ClNO2 — CID 734857

IUPAC(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-12-10-17(11-13(2)18(12)20)23-15(4)19(22)21-14(3)16-8-6-5-7-9-16/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m0/s1
InChIKeyWVEAECCTPHJIKY-LSDHHAIUSA-N
MW331.84 g/mol
LogP4.60
Rot. Bonds5

About (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 734857) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID734857
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-12-10-17(11-13(2)18(12)20)23-15(4)19(22)21-14(3)16-8-6-5-7-9-16/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m0/s1
InChIKeyWVEAECCTPHJIKY-LSDHHAIUSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
CID 17328049
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190650
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide (CID 734857) is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide is Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is WVEAECCTPHJIKY-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-12-10-17(11-13(2)18(12)20)23-15(4)19(22)21-14(3)16-8-6-5-7-9-16/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 734857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).