4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline

C18H13Cl2N3 — CID 54568106

IUPAC4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline
SMILESNc1ccc(Cl)cc1/C(=N/c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C18H13Cl2N3/c19-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)23-16-7-4-10-22-18(16)20/h1-11H,21H2/b23-17+
InChIKeyZVGYVVYXGOUODV-HAVVHWLPSA-N
MW342.23 g/mol
LogP5.14
Rot. Bonds3

About 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline

4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline (PubChem CID 54568106) has the molecular formula C18H13Cl2N3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline
PubChem CID54568106
Molecular FormulaC18H13Cl2N3
Molecular Weight342.23 g/mol
Exact Mass341.05
IUPAC Name4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline
SMILESNc1ccc(Cl)cc1/C(=N/c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C18H13Cl2N3/c19-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)23-16-7-4-10-22-18(16)20/h1-11H,21H2/b23-17+
InChIKeyZVGYVVYXGOUODV-HAVVHWLPSA-N
XLogP5.14
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
CID 88525576
1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 88706970
2-[N-(2-aminopropyl)-C-phenylcarbonimidoyl]-4-chloroaniline
CID 21407690
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide
CID 121002276
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
2-amino-3-[[phenyl(pyridin-2-yl)methylidene]amino]naphthalene-1,4-dione
CID 101381338
4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
CID 625740
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
2-[[[3-(4-chlorophenyl)quinoxalin-2-yl]-phenylmethylidene]amino]aniline
CID 102512409
2-chloro-3-(1-phenylethenyl)pyridine
CID 102526031
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline?
The IUPAC name of 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline (CID 54568106) is 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline.
What is the SMILES notation for 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline?
The canonical SMILES for 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline is Nc1ccc(Cl)cc1/C(=N/c1cccnc1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline?
The InChIKey is ZVGYVVYXGOUODV-HAVVHWLPSA-N. The full InChI is InChI=1S/C18H13Cl2N3/c19-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)23-16-7-4-10-22-18(16)20/h1-11H,21H2/b23-17+.
What are the key properties of 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline?
4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline has a molecular weight of 342.23 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]aniline is sourced from PubChem (CID 54568106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).