N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide

C17H16Cl2N2O — CID 6874265

IUPACN-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O/c1-11(2)12-6-8-13(9-7-12)17(22)21-20-10-14-4-3-5-15(18)16(14)19/h3-11H,1-2H3,(H,21,22)/b20-10+
InChIKeyDTMVLUNPNVWVIO-KEBDBYFISA-N
MW335.23 g/mol
LogP4.88
Rot. Bonds4

About N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide (PubChem CID 6874265) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
PubChem CID6874265
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O/c1-11(2)12-6-8-13(9-7-12)17(22)21-20-10-14-4-3-5-15(18)16(14)19/h3-11H,1-2H3,(H,21,22)/b20-10+
InChIKeyDTMVLUNPNVWVIO-KEBDBYFISA-N
XLogP4.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.88
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

N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide (CID 6874265) is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
The InChIKey is DTMVLUNPNVWVIO-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-11(2)12-6-8-13(9-7-12)17(22)21-20-10-14-4-3-5-15(18)16(14)19/h3-11H,1-2H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide has a molecular weight of 335.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide is sourced from PubChem (CID 6874265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).