(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride

C12H17Cl3N2O — CID 119315009

IUPAC(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
SMILESCC(CNC(=O)[C@@H](C)N)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-7(6-16-12(17)8(2)15)11-9(13)4-3-5-10(11)14;/h3-5,7-8H,6,15H2,1-2H3,(H,16,17);1H/t7?,8-;/m1./s1
InChIKeyJCXORQNIKVKQMN-LTTWWRRRSA-N
MW311.64 g/mol
LogP2.98
Rot. Bonds4

About (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride (PubChem CID 119315009) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
PubChem CID119315009
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC Name(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
SMILESCC(CNC(=O)[C@@H](C)N)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-7(6-16-12(17)8(2)15)11-9(13)4-3-5-10(11)14;/h3-5,7-8H,6,15H2,1-2H3,(H,16,17);1H/t7?,8-;/m1./s1
InChIKeyJCXORQNIKVKQMN-LTTWWRRRSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119768749
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride (CID 119315009) is (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride is CC(CNC(=O)[C@@H](C)N)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
The InChIKey is JCXORQNIKVKQMN-LTTWWRRRSA-N. The full InChI is InChI=1S/C12H16Cl2N2O.ClH/c1-7(6-16-12(17)8(2)15)11-9(13)4-3-5-10(11)14;/h3-5,7-8H,6,15H2,1-2H3,(H,16,17);1H/t7?,8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride has a molecular weight of 311.64 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119315009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).