(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide

C15H12Cl2N2O4 — CID 7865200

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-12-4-2-3-11(8-12)19(21)22)15(20)18-14-7-10(16)5-6-13(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyLLCJGUMJBXDRCC-SECBINFHSA-N
MW355.18 g/mol
LogP4.31
Rot. Bonds5

About (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide

(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide (PubChem CID 7865200) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
PubChem CID7865200
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-12-4-2-3-11(8-12)19(21)22)15(20)18-14-7-10(16)5-6-13(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyLLCJGUMJBXDRCC-SECBINFHSA-N
XLogP4.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.31
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
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865460
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 18107823
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 2515304
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide (CID 7865200) is (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide is C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide?
The InChIKey is LLCJGUMJBXDRCC-SECBINFHSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9(23-12-4-2-3-11(8-12)19(21)22)15(20)18-14-7-10(16)5-6-13(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide?
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide has a molecular weight of 355.18 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 7865200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).