2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline

C21H15Cl3N2O — CID 3586864

IUPAC2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
SMILESClc1cc(Cl)c(NN=C2CC(c3ccccc3)Oc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H15Cl3N2O/c22-14-10-16(23)21(17(24)11-14)26-25-18-12-20(13-6-2-1-3-7-13)27-19-9-5-4-8-15(18)19/h1-11,20,26H,12H2
InChIKeyUCYUJCFUCBCESH-UHFFFAOYSA-N
MW417.72 g/mol
LogP6.99
Rot. Bonds3

About 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline

2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline (PubChem CID 3586864) has the molecular formula C21H15Cl3N2O and a molecular weight of 417.72 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
PubChem CID3586864
Molecular FormulaC21H15Cl3N2O
Molecular Weight417.72 g/mol
Exact Mass416.02
IUPAC Name2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
SMILESClc1cc(Cl)c(NN=C2CC(c3ccccc3)Oc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H15Cl3N2O/c22-14-10-16(23)21(17(24)11-14)26-25-18-12-20(13-6-2-1-3-7-13)27-19-9-5-4-8-15(18)19/h1-11,20,26H,12H2
InChIKeyUCYUJCFUCBCESH-UHFFFAOYSA-N
XLogP6.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.72
LogP ≤ 56.99
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'}

Analyze 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3538487
4-chloro-N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]aniline
CID 7415283
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
CID 71898402
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 5399086
4-methyl-2-[2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135441871
4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136726342
1-methyl-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 5387434
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
CID 56968877
[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino] 2-chlorobenzoate
CID 97413922
[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] 2-chlorobenzoate
CID 51066863
2-nitro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-4-pyrrolidin-1-ylsulfonylaniline
CID 3965718

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline (CID 3586864) is 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline is Clc1cc(Cl)c(NN=C2CC(c3ccccc3)Oc3ccccc32)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline?
The InChIKey is UCYUJCFUCBCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O/c22-14-10-16(23)21(17(24)11-14)26-25-18-12-20(13-6-2-1-3-7-13)27-19-9-5-4-8-15(18)19/h1-11,20,26H,12H2.
What are the key properties of 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline?
2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline has a molecular weight of 417.72 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline is sourced from PubChem (CID 3586864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).