(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide

C10H12Cl2N2O — CID 66568204

IUPAC(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(13)10(15)14-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeySPZQNFUOKDYFBQ-LURJTMIESA-N
MW247.12 g/mol
LogP1.96
Rot. Bonds3

About (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide

(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide (PubChem CID 66568204) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
PubChem CID66568204
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(13)10(15)14-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeySPZQNFUOKDYFBQ-LURJTMIESA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 119315009
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 28651326
(2S)-2-amino-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide
CID 57022701
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
CID 22946175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide (CID 66568204) is (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide is C[C@H](N)C(=O)NCc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide?
The InChIKey is SPZQNFUOKDYFBQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(13)10(15)14-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide?
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide has a molecular weight of 247.12 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide is sourced from PubChem (CID 66568204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).