(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide

C17H18ClNO2 — CID 42563640

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(14-8-4-3-5-9-14)19-17(20)13(2)21-16-11-7-6-10-15(16)18/h3-13H,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyQMWJTCQILMFCCB-OLZOCXBDSA-N
MW303.79 g/mol
LogP3.98
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 42563640) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID42563640
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(14-8-4-3-5-9-14)19-17(20)13(2)21-16-11-7-6-10-15(16)18/h3-13H,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyQMWJTCQILMFCCB-OLZOCXBDSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide (CID 42563640) is (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide is C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is QMWJTCQILMFCCB-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(14-8-4-3-5-9-14)19-17(20)13(2)21-16-11-7-6-10-15(16)18/h3-13H,1-2H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 303.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 42563640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).