(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide

C15H11ClF2N2O4 — CID 8956858

IUPAC(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2O4/c1-8(15(21)19-13-4-2-9(17)6-12(13)18)24-14-5-3-10(20(22)23)7-11(14)16/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyZNBRBHVREMRACE-QMMMGPOBSA-N
MW356.71 g/mol
LogP3.93
Rot. Bonds5

About (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide

(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide (PubChem CID 8956858) has the molecular formula C15H11ClF2N2O4 and a molecular weight of 356.71 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
PubChem CID8956858
Molecular FormulaC15H11ClF2N2O4
Molecular Weight356.71 g/mol
Exact Mass356.04
IUPAC Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2O4/c1-8(15(21)19-13-4-2-9(17)6-12(13)18)24-14-5-3-10(20(22)23)7-11(14)16/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyZNBRBHVREMRACE-QMMMGPOBSA-N
XLogP3.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 5226893
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23958969
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
CID 94535804
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide (CID 8956858) is (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide is C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is ZNBRBHVREMRACE-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11ClF2N2O4/c1-8(15(21)19-13-4-2-9(17)6-12(13)18)24-14-5-3-10(20(22)23)7-11(14)16/h2-8H,1H3,(H,19,21)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide?
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 356.71 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 8956858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).