N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide

C21H18Cl2N2O — CID 12593810

IUPACN'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(=N/c2ccc(C)c(Cl)c2)N(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O/c1-14-3-6-16(7-4-14)21(24-18-10-5-15(2)20(23)13-18)25(26)19-11-8-17(22)9-12-19/h3-13,26H,1-2H3/b24-21-
InChIKeyASQPJCKPRCVAIS-FLFQWRMESA-N
MW385.29 g/mol
LogP6.58
Rot. Bonds3

About N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide

N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 12593810) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide
PubChem CID12593810
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(=N/c2ccc(C)c(Cl)c2)N(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O/c1-14-3-6-16(7-4-14)21(24-18-10-5-15(2)20(23)13-18)25(26)19-11-8-17(22)9-12-19/h3-13,26H,1-2H3/b24-21-
InChIKeyASQPJCKPRCVAIS-FLFQWRMESA-N
XLogP6.58
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,2-bis(3-chloro-4-methylphenyl)guanidine
CID 45277877
N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide
CID 71372467
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
CID 525574
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
3-chloro-N,N,4-trimethylaniline
CID 12637287
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
1-chloro-4-methylbenzene;zinc
CID 174694335
4-(3-chloro-N,4-dimethylanilino)benzoic acid
CID 150399122
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine
CID 16638355
N-(3-chloro-4-methylphenyl)-1,1-bis(prop-2-ynylsulfanyl)methanimine
CID 86733686

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide (CID 12593810) is N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(=N/c2ccc(C)c(Cl)c2)N(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is ASQPJCKPRCVAIS-FLFQWRMESA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c1-14-3-6-16(7-4-14)21(24-18-10-5-15(2)20(23)13-18)25(26)19-11-8-17(22)9-12-19/h3-13,26H,1-2H3/b24-21-.
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide?
N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 385.29 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 12593810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).