N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine

C22H21ClN2O — CID 85073870

IUPACN-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
SMILESCCc1ccccc1Nc1ccc(C(=NO)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C22H21ClN2O/c1-3-16-9-5-7-11-21(16)24-17-12-13-19(20(23)14-17)22(25-26)18-10-6-4-8-15(18)2/h4-14,24,26H,3H2,1-2H3
InChIKeyVQTONSSAHCBHFG-UHFFFAOYSA-N
MW364.88 g/mol
LogP6.18
Rot. Bonds5

About N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine

N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine (PubChem CID 85073870) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
PubChem CID85073870
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC NameN-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
SMILESCCc1ccccc1Nc1ccc(C(=NO)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C22H21ClN2O/c1-3-16-9-5-7-11-21(16)24-17-12-13-19(20(23)14-17)22(25-26)18-10-6-4-8-15(18)2/h4-14,24,26H,3H2,1-2H3
InChIKeyVQTONSSAHCBHFG-UHFFFAOYSA-N
XLogP6.18
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-chloro-4-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]anilino]benzoate
CID 87790844
N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
CID 87309448
[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174459
(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
CID 10156413
[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 10294143
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[2-chloro-4-[2-[2-(2-hydroxyethoxy)ethoxymethyl]anilino]phenyl]-(2-methylphenyl)methanone
CID 10203602
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
[4-[4-bromo-2-(2-hydroxyethoxymethyl)anilino]-2-chlorophenyl]-(2-methylphenyl)methanone;[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 158598925
N-[[4-(4-bromo-2-methylanilino)-2-chlorophenyl]-(4-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 87309641

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine (CID 85073870) is N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine is CCc1ccccc1Nc1ccc(C(=NO)c2ccccc2C)c(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
The InChIKey is VQTONSSAHCBHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-3-16-9-5-7-11-21(16)24-17-12-13-19(20(23)14-17)22(25-26)18-10-6-4-8-15(18)2/h4-14,24,26H,3H2,1-2H3.
What are the key properties of N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine has a molecular weight of 364.88 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 85073870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).