N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide

C17H16ClN3O2 — CID 689612

IUPACN-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
SMILESCc1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-5-7-13(8-6-12)11-19-21-17(23)10-16(22)20-15-4-2-3-14(18)9-15/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZMRGMHUQQAZMDI-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.13
Rot. Bonds5

About N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide

N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide (PubChem CID 689612) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
PubChem CID689612
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
SMILESCc1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-5-7-13(8-6-12)11-19-21-17(23)10-16(22)20-15-4-2-3-14(18)9-15/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZMRGMHUQQAZMDI-UHFFFAOYSA-N
XLogP3.13
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 135479503
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 4571509
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
1-(3-chlorophenyl)-3-[(4-methylphenyl)methylideneamino]thiourea
CID 75087498
N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3561944
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-chlorophenyl)propanediamide
CID 92864199
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxyphenyl)methylideneamino]propanediamide
CID 3943298
N-(3-chlorophenyl)-2-[4-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 6876847
N-(3-chlorophenyl)-2-[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429335

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide (CID 689612) is N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide is Cc1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
The InChIKey is ZMRGMHUQQAZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-5-7-13(8-6-12)11-19-21-17(23)10-16(22)20-15-4-2-3-14(18)9-15/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide has a molecular weight of 329.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 689612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).