3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline

C18H14ClN3 — CID 4224641

IUPAC3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
SMILESClc1cccc(NN=C(c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C18H14ClN3/c19-16-7-4-8-17(13-16)21-22-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-13,21H
InChIKeyWLNICOSBIJMNCP-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.60
Rot. Bonds4

About 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline

3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline (PubChem CID 4224641) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline.

Molecular Properties

Compound Name3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
PubChem CID4224641
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC Name3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
SMILESClc1cccc(NN=C(c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C18H14ClN3/c19-16-7-4-8-17(13-16)21-22-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-13,21H
InChIKeyWLNICOSBIJMNCP-UHFFFAOYSA-N
XLogP4.60
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzhydrylideneamino)-2-chloropyridin-4-amine
CID 126742562
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005029
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea
CID 170856312
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 10882442
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
2-(3-chloroanilino)-1-oxoguanidine
CID 46183330

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline?
The IUPAC name of 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline (CID 4224641) is 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline.
What is the SMILES notation for 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline?
The canonical SMILES for 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline is Clc1cccc(NN=C(c2ccccc2)c2ccncc2)c1.
What is the InChIKey of 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline?
The InChIKey is WLNICOSBIJMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-16-7-4-8-17(13-16)21-22-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-13,21H.
What are the key properties of 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline?
3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline has a molecular weight of 307.78 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline is sourced from PubChem (CID 4224641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).