(2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide

C17H18Cl2N2O — CID 70832634

IUPAC(2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide
SMILESN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c18-14-7-6-13(10-15(14)19)11-16(20)17(22)21-9-8-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11,20H2,(H,21,22)/t16-/m1/s1
InChIKeyJFWHEFFTFLBONJ-MRXNPFEDSA-N
MW337.25 g/mol
LogP3.22
Rot. Bonds6

About (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide

(2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide (PubChem CID 70832634) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide
PubChem CID70832634
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name(2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide
SMILESN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c18-14-7-6-13(10-15(14)19)11-16(20)17(22)21-9-8-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11,20H2,(H,21,22)/t16-/m1/s1
InChIKeyJFWHEFFTFLBONJ-MRXNPFEDSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide (CID 70832634) is (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide is N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide?
The InChIKey is JFWHEFFTFLBONJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-7-6-13(10-15(14)19)11-16(20)17(22)21-9-8-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11,20H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide?
(2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide has a molecular weight of 337.25 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 70832634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).