(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone

C13H9ClN2O3 — CID 5231026

IUPAC(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O3/c14-9-3-1-2-8(6-9)13(17)11-7-10(16(18)19)4-5-12(11)15/h1-7H,15H2
InChIKeyJUXQFXDPNVXNEN-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.06
Rot. Bonds3

About (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone

(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone (PubChem CID 5231026) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
PubChem CID5231026
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O3/c14-9-3-1-2-8(6-9)13(17)11-7-10(16(18)19)4-5-12(11)15/h1-7H,15H2
InChIKeyJUXQFXDPNVXNEN-UHFFFAOYSA-N
XLogP3.06
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline
CID 86733096
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100
3-chloroaniline;2-chloro-4-nitroaniline
CID 159343483
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
2-(3-nitrobenzoyl)benzoyl chloride
CID 86186966
[2-(3-nitrophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 2899159
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 9339051
(2-amino-5-bromophenyl)-(3,5-dinitrophenyl)methanone
CID 4710857
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone?
The IUPAC name of (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone (CID 5231026) is (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone is Nc1ccc([N+](=O)[O-])cc1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone?
The InChIKey is JUXQFXDPNVXNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-3-1-2-8(6-9)13(17)11-7-10(16(18)19)4-5-12(11)15/h1-7H,15H2.
What are the key properties of (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone?
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone has a molecular weight of 276.68 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 5231026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).