N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine

C15H16ClN3O2 — CID 50856820

IUPACN-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cn1C(C)C
InChIInChI=1S/C15H16ClN3O2/c1-10(2)18-9-12(6-11(18)3)8-17-13-4-5-14(16)15(7-13)19(20)21/h4-10H,1-3H3/b17-8+
InChIKeyIYKRSGYDBMWMOZ-CAOOACKPSA-N
MW305.77 g/mol
LogP4.69
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine

N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine (PubChem CID 50856820) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
PubChem CID50856820
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cn1C(C)C
InChIInChI=1S/C15H16ClN3O2/c1-10(2)18-9-12(6-11(18)3)8-17-13-4-5-14(16)15(7-13)19(20)21/h4-10H,1-3H3/b17-8+
InChIKeyIYKRSGYDBMWMOZ-CAOOACKPSA-N
XLogP4.69
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine 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

N-(4-chloro-3-nitrophenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
CID 50855564
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768
N-(4-chloro-3-nitrophenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126097836
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231
N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
CID 50856997
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine (CID 50856820) is N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine is Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cn1C(C)C.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
The InChIKey is IYKRSGYDBMWMOZ-CAOOACKPSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10(2)18-9-12(6-11(18)3)8-17-13-4-5-14(16)15(7-13)19(20)21/h4-10H,1-3H3/b17-8+.
What are the key properties of N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine has a molecular weight of 305.77 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50856820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).