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

C13H9ClN2O3 — CID 15908933

IUPAC(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O3/c14-8-5-6-11(15)10(7-8)13(17)9-3-1-2-4-12(9)16(18)19/h1-7H,15H2
InChIKeyKXIWYTPZRPGYEC-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.06
Rot. Bonds3

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

(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone (PubChem CID 15908933) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
PubChem CID15908933
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O3/c14-8-5-6-11(15)10(7-8)13(17)9-3-1-2-4-12(9)16(18)19/h1-7H,15H2
InChIKeyKXIWYTPZRPGYEC-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

(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
CID 70358542
4-chloro-2-nitroaniline
CID 6979
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
2-(2-aminobenzoyl)-6-nitrobenzoic acid
CID 139660057
2-chloro-4-(2-nitrobenzoyl)benzamide
CID 102462059
[4-(3,4-difluorophenyl)-1H-pyrrol-3-yl]-(2-nitrophenyl)methanone
CID 90645743
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone (CID 15908933) is (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone is Nc1ccc(Cl)cc1C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone?
The InChIKey is KXIWYTPZRPGYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-8-5-6-11(15)10(7-8)13(17)9-3-1-2-4-12(9)16(18)19/h1-7H,15H2.
What are the key properties of (2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone?
(2-amino-5-chlorophenyl)-(2-nitrophenyl)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-chlorophenyl)-(2-nitrophenyl)methanone is sourced from PubChem (CID 15908933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).