(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide

C19H22Cl2N2O2 — CID 27230023

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C19H22Cl2N2O2/c1-13(25-18-10-9-15(20)11-16(18)21)19(24)22-12-17(23(2)3)14-7-5-4-6-8-14/h4-11,13,17H,12H2,1-3H3,(H,22,24)/t13-,17+/m1/s1
InChIKeyYNOHARVRHTXJIW-DYVFJYSZSA-N
MW381.30 g/mol
LogP4.18
Rot. Bonds7

About (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide (PubChem CID 27230023) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
PubChem CID27230023
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C19H22Cl2N2O2/c1-13(25-18-10-9-15(20)11-16(18)21)19(24)22-12-17(23(2)3)14-7-5-4-6-8-14/h4-11,13,17H,12H2,1-3H3,(H,22,24)/t13-,17+/m1/s1
InChIKeyYNOHARVRHTXJIW-DYVFJYSZSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide (CID 27230023) is (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
The InChIKey is YNOHARVRHTXJIW-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-13(25-18-10-9-15(20)11-16(18)21)19(24)22-12-17(23(2)3)14-7-5-4-6-8-14/h4-11,13,17H,12H2,1-3H3,(H,22,24)/t13-,17+/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide has a molecular weight of 381.30 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide is sourced from PubChem (CID 27230023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).