N-butyl-N-(2-chlorophenyl)nitrous amide

C10H13ClN2O — CID 154147986

IUPACN-butyl-N-(2-chlorophenyl)nitrous amide
SMILESCCCCN(N=O)c1ccccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-2-3-8-13(12-14)10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3
InChIKeyQJLKVKVNXJXRAJ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.63
Rot. Bonds5

About N-butyl-N-(2-chlorophenyl)nitrous amide

N-butyl-N-(2-chlorophenyl)nitrous amide (PubChem CID 154147986) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-butyl-N-(2-chlorophenyl)nitrous amide.

Molecular Properties

Compound NameN-butyl-N-(2-chlorophenyl)nitrous amide
PubChem CID154147986
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-butyl-N-(2-chlorophenyl)nitrous amide
SMILESCCCCN(N=O)c1ccccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-2-3-8-13(12-14)10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3
InChIKeyQJLKVKVNXJXRAJ-UHFFFAOYSA-N
XLogP3.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chlorophenyl)nitrous amide?
The IUPAC name of N-butyl-N-(2-chlorophenyl)nitrous amide (CID 154147986) is N-butyl-N-(2-chlorophenyl)nitrous amide.
What is the SMILES notation for N-butyl-N-(2-chlorophenyl)nitrous amide?
The canonical SMILES for N-butyl-N-(2-chlorophenyl)nitrous amide is CCCCN(N=O)c1ccccc1Cl.
What is the InChIKey of N-butyl-N-(2-chlorophenyl)nitrous amide?
The InChIKey is QJLKVKVNXJXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-3-8-13(12-14)10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3.
What are the key properties of N-butyl-N-(2-chlorophenyl)nitrous amide?
N-butyl-N-(2-chlorophenyl)nitrous amide has a molecular weight of 212.68 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chlorophenyl)nitrous amide is sourced from PubChem (CID 154147986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).