N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide

C22H17Cl2N3O2 — CID 121264282

IUPACN-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide
SMILESN/C(=N\C(=O)C(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H17Cl2N3O2/c23-17-10-6-14(7-11-17)19(26-21(28)16-8-12-18(24)13-9-16)22(29)27-20(25)15-4-2-1-3-5-15/h1-13,19H,(H,26,28)(H2,25,27,29)
InChIKeyLEMBTIIVPYJELW-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.40
Rot. Bonds5

About N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide

N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 121264282) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide
PubChem CID121264282
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC NameN-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide
SMILESN/C(=N\C(=O)C(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H17Cl2N3O2/c23-17-10-6-14(7-11-17)19(26-21(28)16-8-12-18(24)13-9-16)22(29)27-20(25)15-4-2-1-3-5-15/h1-13,19H,(H,26,28)(H2,25,27,29)
InChIKeyLEMBTIIVPYJELW-UHFFFAOYSA-N
XLogP4.40
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.40
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide (CID 121264282) is N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide is N/C(=N\C(=O)C(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is LEMBTIIVPYJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c23-17-10-6-14(7-11-17)19(26-21(28)16-8-12-18(24)13-9-16)22(29)27-20(25)15-4-2-1-3-5-15/h1-13,19H,(H,26,28)(H2,25,27,29).
What are the key properties of N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide?
N-[2-[[amino(phenyl)methylidene]amino]-1-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 426.30 g/mol, XLogP of 4.40, 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-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 121264282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).