N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine

C13H12Cl2N2O2 — CID 18683443

IUPACN-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine
SMILESONc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2/c14-10-6-8(1-3-12(10)16-18)5-9-2-4-13(17-19)11(15)7-9/h1-4,6-7,16-19H,5H2
InChIKeyABBPOFULYZQOAP-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.19
Rot. Bonds4

About N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine

N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine (PubChem CID 18683443) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine
PubChem CID18683443
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC NameN-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine
SMILESONc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2/c14-10-6-8(1-3-12(10)16-18)5-9-2-4-13(17-19)11(15)7-9/h1-4,6-7,16-19H,5H2
InChIKeyABBPOFULYZQOAP-UHFFFAOYSA-N
XLogP4.19
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol
CID 132570110
N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 70561560
4-[(4-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid
CID 19980721
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
N-[[2-chloro-4-[[3-chloro-4-(cyclopentanecarbonylcarbamothioylamino)phenyl]methyl]phenyl]carbamothioyl]cyclopentanecarboxamide
CID 5220233
[2-chloro-4-(fluoromethyl)phenyl]hydrazine
CID 118818810
N-(4-benzyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287318
4-benzyl-2-chlorobenzoic acid
CID 150746352
2-[[4-[[4-[(2-carboxy-3,6-dichlorobenzoyl)amino]-3-chlorophenyl]methyl]-2-chloroanilino]oxymethyl]-3,6-dichlorobenzoic acid
CID 20733257
5-benzyl-2-chloroaniline
CID 39243776
2-chloro-4-[(2,4,5-trichloroanilino)methyl]phenol
CID 63419363

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine?
The IUPAC name of N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine (CID 18683443) is N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine?
The canonical SMILES for N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine is ONc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine?
The InChIKey is ABBPOFULYZQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-10-6-8(1-3-12(10)16-18)5-9-2-4-13(17-19)11(15)7-9/h1-4,6-7,16-19H,5H2.
What are the key properties of N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine?
N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine has a molecular weight of 299.16 g/mol, XLogP of 4.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[3-chloro-4-(hydroxyamino)phenyl]methyl]phenyl]hydroxylamine is sourced from PubChem (CID 18683443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).