N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide

C22H15Cl4N3O2 — CID 121264483

IUPACN-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide
SMILESN/C(=N\C(=O)C(NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H15Cl4N3O2/c23-15-8-14(9-16(24)11-15)21(30)28-19(13-6-7-17(25)18(26)10-13)22(31)29-20(27)12-4-2-1-3-5-12/h1-11,19H,(H,28,30)(H2,27,29,31)
InChIKeyWKTRHBNBBJUCLI-UHFFFAOYSA-N
MW495.19 g/mol
LogP5.70
Rot. Bonds5

About N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide

N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide (PubChem CID 121264483) has the molecular formula C22H15Cl4N3O2 and a molecular weight of 495.19 g/mol. Its IUPAC name is N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide
PubChem CID121264483
Molecular FormulaC22H15Cl4N3O2
Molecular Weight495.19 g/mol
Exact Mass492.99
IUPAC NameN-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide
SMILESN/C(=N\C(=O)C(NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H15Cl4N3O2/c23-15-8-14(9-16(24)11-15)21(30)28-19(13-6-7-17(25)18(26)10-13)22(31)29-20(27)12-4-2-1-3-5-12/h1-11,19H,(H,28,30)(H2,27,29,31)
InChIKeyWKTRHBNBBJUCLI-UHFFFAOYSA-N
XLogP5.70
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.19
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-4-bromofuran-2-carboxamide
CID 121264477
N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide
CID 121264156
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
CID 125466393
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
N-[amino(phenyl)methylidene]-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-2-phenylacetamide
CID 145056361
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938931
2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
CID 101360126
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
2-amino-N-[amino(phenyl)methylidene]-2-phenylacetamide
CID 121264672
N-[2-(benzenecarboximidoylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl]-3-chloro-4-cyanobenzamide
CID 145056380

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide (CID 121264483) is N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide is N/C(=N\C(=O)C(NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide?
The InChIKey is WKTRHBNBBJUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl4N3O2/c23-15-8-14(9-16(24)11-15)21(30)28-19(13-6-7-17(25)18(26)10-13)22(31)29-20(27)12-4-2-1-3-5-12/h1-11,19H,(H,28,30)(H2,27,29,31).
What are the key properties of N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide?
N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide has a molecular weight of 495.19 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 121264483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).