(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide

C16H12ClN3O4 — CID 7865952

IUPAC(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H12ClN3O4/c1-10(16(21)19-14-5-3-2-4-11(14)9-18)24-15-7-6-12(20(22)23)8-13(15)17/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyWRNGQSKQTLOFMW-SNVBAGLBSA-N
MW345.74 g/mol
LogP3.53
Rot. Bonds5

About (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide

(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide (PubChem CID 7865952) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
PubChem CID7865952
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H12ClN3O4/c1-10(16(21)19-14-5-3-2-4-11(14)9-18)24-15-7-6-12(20(22)23)8-13(15)17/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1
InChIKeyWRNGQSKQTLOFMW-SNVBAGLBSA-N
XLogP3.53
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(2-nitrophenyl)propanamide
CID 8976832
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(2-nitrophenyl)propanamide
CID 8976828
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 7613626
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862555
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide (CID 7865952) is (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide is C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide?
The InChIKey is WRNGQSKQTLOFMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c1-10(16(21)19-14-5-3-2-4-11(14)9-18)24-15-7-6-12(20(22)23)8-13(15)17/h2-8,10H,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide?
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide has a molecular weight of 345.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 7865952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).