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

C18H18ClN3O4 — CID 129421667

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide
SMILESCCC[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18ClN3O4/c1-2-4-17(26-16-9-7-14(19)8-10-16)18(23)21-20-12-13-5-3-6-15(11-13)22(24)25/h3,5-12,17H,2,4H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyZHNCYHBRWWOPTQ-QGZVFWFLSA-N
MW375.81 g/mol
LogP3.95
Rot. Bonds8

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

(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide (PubChem CID 129421667) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide
PubChem CID129421667
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide
SMILESCCC[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18ClN3O4/c1-2-4-17(26-16-9-7-14(19)8-10-16)18(23)21-20-12-13-5-3-6-15(11-13)22(24)25/h3,5-12,17H,2,4H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyZHNCYHBRWWOPTQ-QGZVFWFLSA-N
XLogP3.95
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.95
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'}

Analyze (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 787801
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
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
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 6112599
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide (CID 129421667) is (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide is CCC[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]pentanamide?
The InChIKey is ZHNCYHBRWWOPTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-2-4-17(26-16-9-7-14(19)8-10-16)18(23)21-20-12-13-5-3-6-15(11-13)22(24)25/h3,5-12,17H,2,4H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide?
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]pentanamide has a molecular weight of 375.81 g/mol, XLogP of 3.95, 8 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]pentanamide is sourced from PubChem (CID 129421667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).