(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone

C19H13ClN2O3 — CID 18358103

IUPAC(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone
SMILESO=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C19H13ClN2O3/c20-16-6-2-1-5-15(16)19(23)13-9-11-14(12-10-13)21-17-7-3-4-8-18(17)22(24)25/h1-12,21H
InChIKeyZZRKAXMYORBZLD-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.22
Rot. Bonds5

About (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone

(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone (PubChem CID 18358103) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone
PubChem CID18358103
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone
SMILESO=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C19H13ClN2O3/c20-16-6-2-1-5-15(16)19(23)13-9-11-14(12-10-13)21-17-7-3-4-8-18(17)22(24)25/h1-12,21H
InChIKeyZZRKAXMYORBZLD-UHFFFAOYSA-N
XLogP5.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(2-nitroanilino)phenyl]methanone
CID 18358094
[4-(2-nitroanilino)phenyl]-[2-(phenoxymethyl)phenyl]methanone
CID 18358162
[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
2-chloro-4-(2-nitroanilino)benzoic acid
CID 61399202
3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386
tert-butyl 2-chloro-4-(2-nitroanilino)benzoate
CID 144826964
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
CID 70358542
[5-chloro-2-(4-nitroanilino)phenyl]-phenylmethanone
CID 3826701
4-anilino-3-nitrobenzoic acid
CID 3824366
2-[2-(2-nitroanilino)phenyl]acetic acid
CID 18546327

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone (CID 18358103) is (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone is O=C(c1ccc(Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone?
The InChIKey is ZZRKAXMYORBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-16-6-2-1-5-15(16)19(23)13-9-11-14(12-10-13)21-17-7-3-4-8-18(17)22(24)25/h1-12,21H.
What are the key properties of (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone?
(2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone has a molecular weight of 352.78 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(2-nitroanilino)phenyl]methanone is sourced from PubChem (CID 18358103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).