N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline

C21H19N3O4 — CID 2836812

IUPACN-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
SMILESCOc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-19-11-3-15(4-12-19)21(16-5-13-20(28-2)14-6-16)23-22-17-7-9-18(10-8-17)24(25)26/h3-14,22H,1-2H3
InChIKeyDIMDHMNILJZXGX-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.48
Rot. Bonds7

About N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline

N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline (PubChem CID 2836812) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
PubChem CID2836812
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
SMILESCOc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-19-11-3-15(4-12-19)21(16-5-13-20(28-2)14-6-16)23-22-17-7-9-18(10-8-17)24(25)26/h3-14,22H,1-2H3
InChIKeyDIMDHMNILJZXGX-UHFFFAOYSA-N
XLogP4.48
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.48
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

6-hydroxy-5-[(E)-C-(4-methoxyphenyl)-N-(4-nitroanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione
CID 135832516
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide
CID 86584472
(1Z)-4-nitro-N-(4-nitroanilino)benzenecarboximidoyl cyanide
CID 12706509
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
4-nitro-N'-[4-(trifluoromethoxy)anilino]benzenecarboximidamide
CID 90409045

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline?
The IUPAC name of N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline (CID 2836812) is N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline is COc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline?
The InChIKey is DIMDHMNILJZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-19-11-3-15(4-12-19)21(16-5-13-20(28-2)14-6-16)23-22-17-7-9-18(10-8-17)24(25)26/h3-14,22H,1-2H3.
What are the key properties of N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline?
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline has a molecular weight of 377.40 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline is sourced from PubChem (CID 2836812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).