N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide

C22H18Cl2N4O2 — CID 142812632

IUPACN-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide
SMILESCC(=O)Nc1ccc(N)c(/N=C/c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N4O2/c1-13(29)27-16-9-10-19(25)20(11-16)26-12-14-5-7-15(8-6-14)28-22(30)21-17(23)3-2-4-18(21)24/h2-12H,25H2,1H3,(H,27,29)(H,28,30)/b26-12+
InChIKeyPVEMPQHSWNHAFS-RPPGKUMJSA-N
MW441.32 g/mol
LogP5.54
Rot. Bonds5

About N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide

N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide (PubChem CID 142812632) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide
PubChem CID142812632
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC NameN-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide
SMILESCC(=O)Nc1ccc(N)c(/N=C/c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N4O2/c1-13(29)27-16-9-10-19(25)20(11-16)26-12-14-5-7-15(8-6-14)28-22(30)21-17(23)3-2-4-18(21)24/h2-12H,25H2,1H3,(H,27,29)(H,28,30)/b26-12+
InChIKeyPVEMPQHSWNHAFS-RPPGKUMJSA-N
XLogP5.54
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide
CID 142812843
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
N-[4-[(2-methoxyphenyl)iminomethyl]phenyl]acetamide
CID 102509631
2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
CID 63660522
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
CID 131882450
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide (CID 142812632) is N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide is CC(=O)Nc1ccc(N)c(/N=C/c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)c1.
What is the InChIKey of N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide?
The InChIKey is PVEMPQHSWNHAFS-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-13(29)27-16-9-10-19(25)20(11-16)26-12-14-5-7-15(8-6-14)28-22(30)21-17(23)3-2-4-18(21)24/h2-12H,25H2,1H3,(H,27,29)(H,28,30)/b26-12+.
What are the key properties of N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide?
N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide has a molecular weight of 441.32 g/mol, XLogP of 5.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-acetamido-2-aminophenyl)iminomethyl]phenyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 142812632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).