(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C17H19Cl2N3O — CID 97332404

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCc1ccncc1
InChIInChI=1S/C17H19Cl2N3O/c1-12(22(2)10-7-13-5-8-20-9-6-13)17(23)21-16-11-14(18)3-4-15(16)19/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyJVRDHKZTBLBBCE-LBPRGKRZSA-N
MW352.27 g/mol
LogP3.89
Rot. Bonds6

About (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide

(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 97332404) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID97332404
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCc1ccncc1
InChIInChI=1S/C17H19Cl2N3O/c1-12(22(2)10-7-13-5-8-20-9-6-13)17(23)21-16-11-14(18)3-4-15(16)19/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyJVRDHKZTBLBBCE-LBPRGKRZSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 75439020
(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8516902
(2R)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606771
(2S)-2-[2-(4-chlorophenyl)ethyl-methylamino]-N-pyrimidin-2-ylpropanamide
CID 124606770
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626127
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide
CID 8877484
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
(2R)-N-(2,5-dichlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 2689350
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989320
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 97332404) is (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide is C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCc1ccncc1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is JVRDHKZTBLBBCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-12(22(2)10-7-13-5-8-20-9-6-13)17(23)21-16-11-14(18)3-4-15(16)19/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
(2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 352.27 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 97332404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).