N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide

C17H14Cl2N4O4 — CID 3977265

IUPACN-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide
SMILESCc1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14Cl2N4O4/c1-10-5-6-11(7-14(10)23(26)27)9-20-22-16(25)8-15(24)21-13-4-2-3-12(18)17(13)19/h2-7,9H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyMSDCMPRWCGPDGW-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.69
Rot. Bonds6

About N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide

N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide (PubChem CID 3977265) has the molecular formula C17H14Cl2N4O4 and a molecular weight of 409.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide
PubChem CID3977265
Molecular FormulaC17H14Cl2N4O4
Molecular Weight409.23 g/mol
Exact Mass408.04
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide
SMILESCc1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14Cl2N4O4/c1-10-5-6-11(7-14(10)23(26)27)9-20-22-16(25)8-15(24)21-13-4-2-3-12(18)17(13)19/h2-7,9H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyMSDCMPRWCGPDGW-UHFFFAOYSA-N
XLogP3.69
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

N-(2-chlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]butanediamide
CID 4679765
N'-[(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3896969
N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
CID 3282257
N'-[(4-methyl-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4033368
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]propanediamide
CID 5022828
N-(2,3-dimethylphenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]butanediamide
CID 4211406
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813992
N'-[(4-tert-butylphenyl)methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5014358
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 3379580
1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926783
N-(2,3-dichlorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4666995
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide (CID 3977265) is N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide is Cc1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide?
The InChIKey is MSDCMPRWCGPDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O4/c1-10-5-6-11(7-14(10)23(26)27)9-20-22-16(25)8-15(24)21-13-4-2-3-12(18)17(13)19/h2-7,9H,8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide?
N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide has a molecular weight of 409.23 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3977265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).