(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide

C17H18ClNO2 — CID 2094690

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(14-6-4-3-5-7-14)19-17(20)13(2)21-16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyDEQSLPVLUAONHE-CHWSQXEVSA-N
MW303.79 g/mol
LogP3.98
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide

(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 2094690) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID2094690
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(14-6-4-3-5-7-14)19-17(20)13(2)21-16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyDEQSLPVLUAONHE-CHWSQXEVSA-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-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
CID 8025361
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide (CID 2094690) is (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is DEQSLPVLUAONHE-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(14-6-4-3-5-7-14)19-17(20)13(2)21-16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide?
(2R)-2-(4-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 (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 2094690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).