N-(1-phenylnaphthalen-2-yl)nitrous amide

C16H12N2O — CID 141065415

IUPACN-(1-phenylnaphthalen-2-yl)nitrous amide
SMILESO=NNc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-18-17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-11H,(H,17,19)
InChIKeyLCMQZMRHZCWKAD-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.60
Rot. Bonds3

About N-(1-phenylnaphthalen-2-yl)nitrous amide

N-(1-phenylnaphthalen-2-yl)nitrous amide (PubChem CID 141065415) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(1-phenylnaphthalen-2-yl)nitrous amide.

Molecular Properties

Compound NameN-(1-phenylnaphthalen-2-yl)nitrous amide
PubChem CID141065415
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC NameN-(1-phenylnaphthalen-2-yl)nitrous amide
SMILESO=NNc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-18-17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-11H,(H,17,19)
InChIKeyLCMQZMRHZCWKAD-UHFFFAOYSA-N
XLogP4.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
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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Related Compounds

N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide
CID 87711358
4-[(1-phenylnaphthalen-2-yl)amino]phenol
CID 67541341
1,2-diphenylnaphthalene
CID 11208267
CID 175342877
CID 175342877
(1-phenylnaphthalen-2-yl)phosphane;hydrochloride
CID 175012794
N-(1-phenylethyl)benzo[h]azulen-1-amine
CID 140974592
chrysene;coronene;phenanthrene;5,6,11,12-tetraphenyltetracene
CID 174892643
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
CID 164754288
2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
CID 177433826
1-(1-phenylnaphthalen-2-yl)pyrrole-2,5-dione
CID 175194524
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylnaphthalen-2-yl)nitrous amide?
The IUPAC name of N-(1-phenylnaphthalen-2-yl)nitrous amide (CID 141065415) is N-(1-phenylnaphthalen-2-yl)nitrous amide.
What is the SMILES notation for N-(1-phenylnaphthalen-2-yl)nitrous amide?
The canonical SMILES for N-(1-phenylnaphthalen-2-yl)nitrous amide is O=NNc1ccc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-(1-phenylnaphthalen-2-yl)nitrous amide?
The InChIKey is LCMQZMRHZCWKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-18-17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-11H,(H,17,19).
What are the key properties of N-(1-phenylnaphthalen-2-yl)nitrous amide?
N-(1-phenylnaphthalen-2-yl)nitrous amide has a molecular weight of 248.29 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylnaphthalen-2-yl)nitrous amide is sourced from PubChem (CID 141065415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).