N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide

C22H17ClN4O2 — CID 118918800

IUPACN-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)N(N=Cc1ccccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-19-14-8-7-13-18(19)15-25-27(21(29)17-11-5-2-6-12-17)22(24)26-20(28)16-9-3-1-4-10-16/h1-15H,(H2,24,26,28)
InChIKeyLLZPRTJLGVPLIB-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.97
Rot. Bonds4

About N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide

N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide (PubChem CID 118918800) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide.

Molecular Properties

Compound NameN-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide
PubChem CID118918800
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC NameN-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)N(N=Cc1ccccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-19-14-8-7-13-18(19)15-25-27(21(29)17-11-5-2-6-12-17)22(24)26-20(28)16-9-3-1-4-10-16/h1-15H,(H2,24,26,28)
InChIKeyLLZPRTJLGVPLIB-UHFFFAOYSA-N
XLogP3.97
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzoyl-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 154037448
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
diethyl (Z)-2-[benzoyl-[(E)-(3-chlorophenyl)methylideneamino]amino]but-2-enedioate
CID 46918444
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 137119691
3-benzyl-1-[(Z)-(2-chlorophenyl)methylideneamino]-1-methylthiourea
CID 9174457
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
N-[N'-[(Z)-(2-chlorophenyl)methylideneamino]carbamimidoyl]acetamide
CID 137198212
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532
N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 11820998
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
N-(1-oxo-1-phenylpropan-2-ylidene)benzamide
CID 23255289

Frequently Asked Questions

What is the IUPAC name of N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide?
The IUPAC name of N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide (CID 118918800) is N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide.
What is the SMILES notation for N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide?
The canonical SMILES for N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide is N/C(=N\C(=O)c1ccccc1)N(N=Cc1ccccc1Cl)C(=O)c1ccccc1.
What is the InChIKey of N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide?
The InChIKey is LLZPRTJLGVPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-19-14-8-7-13-18(19)15-25-27(21(29)17-11-5-2-6-12-17)22(24)26-20(28)16-9-3-1-4-10-16/h1-15H,(H2,24,26,28).
What are the key properties of N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide?
N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide has a molecular weight of 404.86 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[benzoyl-[(2-chlorophenyl)methylideneamino]amino]methylidene]benzamide is sourced from PubChem (CID 118918800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).