N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide

C19H20Cl2N2O2 — CID 4927417

IUPACN-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(2)10-11-25-16-8-6-14(7-9-16)19(24)23-22-12-15-4-3-5-17(20)18(15)21/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)
InChIKeyIVVCDKGBJBSTGK-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.18
Rot. Bonds7

About N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide

N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 4927417) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID4927417
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(2)10-11-25-16-8-6-14(7-9-16)19(24)23-22-12-15-4-3-5-17(20)18(15)21/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)
InChIKeyIVVCDKGBJBSTGK-UHFFFAOYSA-N
XLogP5.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
CID 9215847
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
CID 4671273
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4927369

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide (CID 4927417) is N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is IVVCDKGBJBSTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(2)10-11-25-16-8-6-14(7-9-16)19(24)23-22-12-15-4-3-5-17(20)18(15)21/h3-9,12-13H,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 379.29 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4927417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).