N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide

C9H9Cl5N2O2 — CID 159594443

IUPACN-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide
SMILESO=CNCC(Cl)(Cl)Cl.ONc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO.C3H4Cl3NO/c7-5-2-1-4(9-10)3-6(5)8;4-3(5,6)1-7-2-8/h1-3,9-10H;2H,1H2,(H,7,8)
InChIKeyMKQQRKSYWKVGQI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.90
Rot. Bonds3

About N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide

N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide (PubChem CID 159594443) has the molecular formula C9H9Cl5N2O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide
PubChem CID159594443
Molecular FormulaC9H9Cl5N2O2
Molecular Weight354.45 g/mol
Exact Mass351.91
IUPAC NameN-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide
SMILESO=CNCC(Cl)(Cl)Cl.ONc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO.C3H4Cl3NO/c7-5-2-1-4(9-10)3-6(5)8;4-3(5,6)1-7-2-8/h1-3,9-10H;2H,1H2,(H,7,8)
InChIKeyMKQQRKSYWKVGQI-UHFFFAOYSA-N
XLogP3.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine
CID 73013427
N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide
CID 88701776
3,4-dichloro-N-methylaniline;N-phenylformamide
CID 178016715
4-[(3,4-dichloroanilino)methyl]benzoic acid
CID 62216410
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
N-[4-[(3,4-dichlorophenyl)carbamothioylamino]-2-methylphenyl]formamide
CID 155694086
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
3,4-dichloro-N-iodoaniline
CID 134221439

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide?
The IUPAC name of N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide (CID 159594443) is N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide?
The canonical SMILES for N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide is O=CNCC(Cl)(Cl)Cl.ONc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide?
The InChIKey is MKQQRKSYWKVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO.C3H4Cl3NO/c7-5-2-1-4(9-10)3-6(5)8;4-3(5,6)1-7-2-8/h1-3,9-10H;2H,1H2,(H,7,8).
What are the key properties of N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide?
N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide has a molecular weight of 354.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)hydroxylamine;N-(2,2,2-trichloroethyl)formamide is sourced from PubChem (CID 159594443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).