(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide

C16H14ClN3O4 — CID 787801

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O4/c1-11(24-15-7-5-13(17)6-8-15)16(21)19-18-10-12-3-2-4-14(9-12)20(22)23/h2-11H,1H3,(H,19,21)/t11-/m1/s1
InChIKeyIWZQYXRHIISGSK-LLVKDONJSA-N
MW347.76 g/mol
LogP3.17
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide

(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide (PubChem CID 787801) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
PubChem CID787801
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O4/c1-11(24-15-7-5-13(17)6-8-15)16(21)19-18-10-12-3-2-4-14(9-12)20(22)23/h2-11H,1H3,(H,19,21)/t11-/m1/s1
InChIKeyIWZQYXRHIISGSK-LLVKDONJSA-N
XLogP3.17
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 129421667
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
4-chloro-N-[3-methyl-1-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4683808
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 5147897
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 135659369
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 136766986
(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135783828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide (CID 787801) is (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide?
The InChIKey is IWZQYXRHIISGSK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-11(24-15-7-5-13(17)6-8-15)16(21)19-18-10-12-3-2-4-14(9-12)20(22)23/h2-11H,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide?
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide has a molecular weight of 347.76 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide is sourced from PubChem (CID 787801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).