4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline

C15H14ClN3O2 — CID 126104463

IUPAC4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c1-18(2)13-5-3-12(4-6-13)17-10-11-9-14(19(20)21)7-8-15(11)16/h3-10H,1-2H3/b17-10+
InChIKeyNKHSJFHKCZMFJQ-LICLKQGHSA-N
MW303.75 g/mol
LogP4.06
Rot. Bonds4

About 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline

4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline (PubChem CID 126104463) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
PubChem CID126104463
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c1-18(2)13-5-3-12(4-6-13)17-10-11-9-14(19(20)21)7-8-15(11)16/h3-10H,1-2H3/b17-10+
InChIKeyNKHSJFHKCZMFJQ-LICLKQGHSA-N
XLogP4.06
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
4-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 693503
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
propyl 4-[(2-chloro-5-nitrophenyl)methylideneamino]benzoate
CID 4504807
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 794489
2-[(4-bromo-3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 2185227
2-chloro-N,N-diethyl-5-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135596128

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline (CID 126104463) is 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline is CN(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline?
The InChIKey is NKHSJFHKCZMFJQ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-18(2)13-5-3-12(4-6-13)17-10-11-9-14(19(20)21)7-8-15(11)16/h3-10H,1-2H3/b17-10+.
What are the key properties of 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline?
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline has a molecular weight of 303.75 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 126104463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).