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

C20H16Cl2N2O — CID 87309448

IUPACN-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccccc1C(=NO)c1ccc(Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C20H16Cl2N2O/c1-13-4-2-3-5-17(13)20(24-25)18-11-10-16(12-19(18)22)23-15-8-6-14(21)7-9-15/h2-12,23,25H,1H3
InChIKeyNZNMZWCDKXHMJH-UHFFFAOYSA-N
MW371.27 g/mol
LogP6.27
Rot. Bonds4

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

N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine (PubChem CID 87309448) has the molecular formula C20H16Cl2N2O and a molecular weight of 371.27 g/mol. Its IUPAC name is N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
PubChem CID87309448
Molecular FormulaC20H16Cl2N2O
Molecular Weight371.27 g/mol
Exact Mass370.06
IUPAC NameN-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccccc1C(=NO)c1ccc(Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C20H16Cl2N2O/c1-13-4-2-3-5-17(13)20(24-25)18-11-10-16(12-19(18)22)23-15-8-6-14(21)7-9-15/h2-12,23,25H,1H3
InChIKeyNZNMZWCDKXHMJH-UHFFFAOYSA-N
XLogP6.27
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 56.27
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

N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
CID 85073870
ethyl 2-[3-chloro-4-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]anilino]benzoate
CID 87790844
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
CID 10156413
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445
[2-chloro-4-(pyrimidin-5-ylamino)phenyl]-(2-methylphenyl)methanethione
CID 18460761
N-[[4-(4-bromo-2-methylanilino)-2-chlorophenyl]-(4-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 87309641
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
[2-chloro-4-(3-nitroanilino)phenyl]-(2-methylphenyl)methanone
CID 11349130
[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione
CID 10268763
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine (CID 87309448) is N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine is Cc1ccccc1C(=NO)c1ccc(Nc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
The InChIKey is NZNMZWCDKXHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O/c1-13-4-2-3-5-17(13)20(24-25)18-11-10-16(12-19(18)22)23-15-8-6-14(21)7-9-15/h2-12,23,25H,1H3.
What are the key properties of N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine?
N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine has a molecular weight of 371.27 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 87309448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).