N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide

C23H20ClN3O5 — CID 3446462

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClN3O5/c1-16(32-22-8-3-2-7-21(22)27(29)30)23(28)26-25-14-18-5-4-6-20(13-18)31-15-17-9-11-19(24)12-10-17/h2-14,16H,15H2,1H3,(H,26,28)
InChIKeyOIDGCPQVFPZIFO-UHFFFAOYSA-N
MW453.88 g/mol
LogP4.74
Rot. Bonds9

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide (PubChem CID 3446462) has the molecular formula C23H20ClN3O5 and a molecular weight of 453.88 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
PubChem CID3446462
Molecular FormulaC23H20ClN3O5
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClN3O5/c1-16(32-22-8-3-2-7-21(22)27(29)30)23(28)26-25-14-18-5-4-6-20(13-18)31-15-17-9-11-19(24)12-10-17/h2-14,16H,15H2,1H3,(H,26,28)
InChIKeyOIDGCPQVFPZIFO-UHFFFAOYSA-N
XLogP4.74
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 126078187
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5061893
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[(2S)-2-(2-nitrophenoxy)propanoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 99694848
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 6029635
(2R)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 136766871
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 787801
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397217

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide (CID 3446462) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide?
The InChIKey is OIDGCPQVFPZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5/c1-16(32-22-8-3-2-7-21(22)27(29)30)23(28)26-25-14-18-5-4-6-20(13-18)31-15-17-9-11-19(24)12-10-17/h2-14,16H,15H2,1H3,(H,26,28).
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide has a molecular weight of 453.88 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 3446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).