N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide

C13H11ClN2O2 — CID 165348877

IUPACN-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide
SMILESO=NN(Cc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-11-3-5-12(6-4-11)16(15-18)9-10-1-7-13(17)8-2-10/h1-8,17H,9H2
InChIKeyIJRYSWKXZBPXSK-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.73
Rot. Bonds4

About N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide

N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide (PubChem CID 165348877) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide
PubChem CID165348877
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide
SMILESO=NN(Cc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-11-3-5-12(6-4-11)16(15-18)9-10-1-7-13(17)8-2-10/h1-8,17H,9H2
InChIKeyIJRYSWKXZBPXSK-UHFFFAOYSA-N
XLogP3.73
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(dimethylamino)-N-(4-hydroxyphenyl)acetamide
CID 144619641
4-chlorophenol
CID 4684
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
bis(4-chlorophenol);chromium
CID 152534645
magnesium;4-chlorophenol;hydride
CID 174509814
N-(4-chlorophenyl)-2-[(4-chlorophenyl)-[(4-cyanophenyl)methyl]hydrazinylidene]acetamide
CID 71151908
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
CID 159053897
CID 159053897
2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid
CID 70629750

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide (CID 165348877) is N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide is O=NN(Cc1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide?
The InChIKey is IJRYSWKXZBPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-3-5-12(6-4-11)16(15-18)9-10-1-7-13(17)8-2-10/h1-8,17H,9H2.
What are the key properties of N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide?
N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide has a molecular weight of 262.70 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]nitrous amide is sourced from PubChem (CID 165348877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).