(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide

C18H14Cl2N2O2 — CID 1075192

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H14Cl2N2O2/c1-11(24-16-8-7-13(19)10-14(16)20)18(23)22-17-9-6-12-4-2-3-5-15(12)21-17/h2-11H,1H3,(H,21,22,23)/t11-/m0/s1
InChIKeyNHLFMOBFIGYBJG-NSHDSACASA-N
MW361.23 g/mol
LogP4.95
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide

(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide (PubChem CID 1075192) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
PubChem CID1075192
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H14Cl2N2O2/c1-11(24-16-8-7-13(19)10-14(16)20)18(23)22-17-9-6-12-4-2-3-5-15(12)21-17/h2-11H,1H3,(H,21,22,23)/t11-/m0/s1
InChIKeyNHLFMOBFIGYBJG-NSHDSACASA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide
CID 2233489
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide (CID 1075192) is (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide?
The InChIKey is NHLFMOBFIGYBJG-NSHDSACASA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-11(24-16-8-7-13(19)10-14(16)20)18(23)22-17-9-6-12-4-2-3-5-15(12)21-17/h2-11H,1H3,(H,21,22,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide has a molecular weight of 361.23 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 1075192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).