(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide

C13H19ClN2O — CID 39869905

IUPAC(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
SMILESC[C@@H](Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-10(14)13(17)15-9-12(16(2)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyFLWWKJPWKZPBHF-PWSUYJOCSA-N
MW254.76 g/mol
LogP2.03
Rot. Bonds5

About (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide

(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide (PubChem CID 39869905) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
PubChem CID39869905
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
SMILESC[C@@H](Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-10(14)13(17)15-9-12(16(2)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyFLWWKJPWKZPBHF-PWSUYJOCSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084
(E)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]but-2-enamide
CID 97053049
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55936274
benzyl N-[(2S)-1-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide (CID 39869905) is (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide is C[C@@H](Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C.
What is the InChIKey of (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
The InChIKey is FLWWKJPWKZPBHF-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(14)13(17)15-9-12(16(2)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t10-,12+/m1/s1.
What are the key properties of (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide?
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide is sourced from PubChem (CID 39869905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).