1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine

C19H13ClN2O2 — CID 21240098

IUPAC1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C19H13ClN2O2/c20-18-11-6-14(12-19(18)22(23)24)13-21-17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13H/b21-13+
InChIKeyDKYJIEODQYYYNZ-FYJGNVAPSA-N
MW336.78 g/mol
LogP5.67
Rot. Bonds4

About 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine

1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine (PubChem CID 21240098) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
PubChem CID21240098
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C19H13ClN2O2/c20-18-11-6-14(12-19(18)22(23)24)13-21-17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13H/b21-13+
InChIKeyDKYJIEODQYYYNZ-FYJGNVAPSA-N
XLogP5.67
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.78
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
CID 913562
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294
1-(4-chloro-3-nitrophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
CID 3622175
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
4-[(4-chloro-3-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3376750
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine (CID 21240098) is 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine is O=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine?
The InChIKey is DKYJIEODQYYYNZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-18-11-6-14(12-19(18)22(23)24)13-21-17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13H/b21-13+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine?
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine has a molecular weight of 336.78 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine is sourced from PubChem (CID 21240098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).