4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide

C20H22Cl2N2O — CID 3681131

IUPAC4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O/c1-5-18(16-11-10-15(21)12-17(16)22)23-24-19(25)13-6-8-14(9-7-13)20(2,3)4/h6-12H,5H2,1-4H3,(H,24,25)
InChIKeySIUJSXXAISKIHF-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.84
Rot. Bonds4

About 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide

4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide (PubChem CID 3681131) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
PubChem CID3681131
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O/c1-5-18(16-11-10-15(21)12-17(16)22)23-24-19(25)13-6-8-14(9-7-13)20(2,3)4/h6-12H,5H2,1-4H3,(H,24,25)
InChIKeySIUJSXXAISKIHF-UHFFFAOYSA-N
XLogP5.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135614080
N-[1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 3388426
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 135691033
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide (CID 3681131) is 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide?
The InChIKey is SIUJSXXAISKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-5-18(16-11-10-15(21)12-17(16)22)23-24-19(25)13-6-8-14(9-7-13)20(2,3)4/h6-12H,5H2,1-4H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide?
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide has a molecular weight of 377.32 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide is sourced from PubChem (CID 3681131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).