(2-amino-3-benzoyl-5-chlorophenyl) nitrite

C13H9ClN2O3 — CID 142756484

IUPAC(2-amino-3-benzoyl-5-chlorophenyl) nitrite
SMILESNc1c(ON=O)cc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C13H9ClN2O3/c14-9-6-10(12(15)11(7-9)19-16-18)13(17)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyXZTWLOQVNPHEFM-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.21
Rot. Bonds4

About (2-amino-3-benzoyl-5-chlorophenyl) nitrite

(2-amino-3-benzoyl-5-chlorophenyl) nitrite (PubChem CID 142756484) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is (2-amino-3-benzoyl-5-chlorophenyl) nitrite.

Molecular Properties

Compound Name(2-amino-3-benzoyl-5-chlorophenyl) nitrite
PubChem CID142756484
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name(2-amino-3-benzoyl-5-chlorophenyl) nitrite
SMILESNc1c(ON=O)cc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C13H9ClN2O3/c14-9-6-10(12(15)11(7-9)19-16-18)13(17)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyXZTWLOQVNPHEFM-UHFFFAOYSA-N
XLogP3.21
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
CID 125473458
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
2-benzoyl-4-chloro-6-methylbenzonitrile
CID 166441428
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
2-[2-amino-5-chloro-3-(4-iodobenzoyl)phenyl]acetic acid
CID 13408278
(2,3-diamino-4,5-dibromophenyl)-phenylmethanone
CID 90217028
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-benzoyl-5-chlorophenyl) nitrite?
The IUPAC name of (2-amino-3-benzoyl-5-chlorophenyl) nitrite (CID 142756484) is (2-amino-3-benzoyl-5-chlorophenyl) nitrite.
What is the SMILES notation for (2-amino-3-benzoyl-5-chlorophenyl) nitrite?
The canonical SMILES for (2-amino-3-benzoyl-5-chlorophenyl) nitrite is Nc1c(ON=O)cc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-3-benzoyl-5-chlorophenyl) nitrite?
The InChIKey is XZTWLOQVNPHEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-6-10(12(15)11(7-9)19-16-18)13(17)8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of (2-amino-3-benzoyl-5-chlorophenyl) nitrite?
(2-amino-3-benzoyl-5-chlorophenyl) nitrite has a molecular weight of 276.68 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-benzoyl-5-chlorophenyl) nitrite is sourced from PubChem (CID 142756484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).