N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline

C18H14ClN3O4 — CID 2837615

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
SMILESCOc1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl
InChIInChI=1S/C18H14ClN3O4/c1-25-18-8-2-12(10-16(18)19)17-9-7-15(26-17)11-20-21-13-3-5-14(6-4-13)22(23)24/h2-11,21H,1H3
InChIKeyZWEYFPGPYVQBRY-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.96
Rot. Bonds6

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline (PubChem CID 2837615) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
PubChem CID2837615
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
SMILESCOc1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl
InChIInChI=1S/C18H14ClN3O4/c1-25-18-8-2-12(10-16(18)19)17-9-7-15(26-17)11-20-21-13-3-5-14(6-4-13)22(23)24/h2-11,21H,1H3
InChIKeyZWEYFPGPYVQBRY-UHFFFAOYSA-N
XLogP4.96
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.96
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-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 1041488
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
1-(3,4-dimethoxyphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 92658226
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline
CID 56695507
2-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 4002300
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
3,5,6-trichloro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine
CID 3605941
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6876748
methyl 2-chloro-4-[5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5430133
N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine
CID 126000121

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline (CID 2837615) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline is COc1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
The InChIKey is ZWEYFPGPYVQBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-25-18-8-2-12(10-16(18)19)17-9-7-15(26-17)11-20-21-13-3-5-14(6-4-13)22(23)24/h2-11,21H,1H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline has a molecular weight of 371.78 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline is sourced from PubChem (CID 2837615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).