N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide

C17H18Cl2N2O2 — CID 95690788

IUPACN-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCn1ccccc1=O
InChIInChI=1S/C17H18Cl2N2O2/c1-12(10-13-5-6-14(18)11-15(13)19)20-16(22)7-9-21-8-3-2-4-17(21)23/h2-6,8,11-12H,7,9-10H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyHBGHTABSFFLRQE-LBPRGKRZSA-N
MW353.25 g/mol
LogP3.29
Rot. Bonds6

About N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide

N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 95690788) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID95690788
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCn1ccccc1=O
InChIInChI=1S/C17H18Cl2N2O2/c1-12(10-13-5-6-14(18)11-15(13)19)20-16(22)7-9-21-8-3-2-4-17(21)23/h2-6,8,11-12H,7,9-10H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyHBGHTABSFFLRQE-LBPRGKRZSA-N
XLogP3.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979645
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979400
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757975

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide (CID 95690788) is N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide is C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCn1ccccc1=O.
What is the InChIKey of N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is HBGHTABSFFLRQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-12(10-13-5-6-14(18)11-15(13)19)20-16(22)7-9-21-8-3-2-4-17(21)23/h2-6,8,11-12H,7,9-10H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 353.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 95690788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).