2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline

C22H18ClN3 — CID 175016465

IUPAC2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline
SMILESClc1ccccc1NN=C1C(c2ccccc2)=NCC1c1ccccc1
InChIInChI=1S/C22H18ClN3/c23-19-13-7-8-14-20(19)25-26-22-18(16-9-3-1-4-10-16)15-24-21(22)17-11-5-2-6-12-17/h1-14,18,25H,15H2
InChIKeyXDBSXVAKUDTWBP-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.39
Rot. Bonds4

About 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline

2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline (PubChem CID 175016465) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline
PubChem CID175016465
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline
SMILESClc1ccccc1NN=C1C(c2ccccc2)=NCC1c1ccccc1
InChIInChI=1S/C22H18ClN3/c23-19-13-7-8-14-20(19)25-26-22-18(16-9-3-1-4-10-16)15-24-21(22)17-11-5-2-6-12-17/h1-14,18,25H,15H2
InChIKeyXDBSXVAKUDTWBP-UHFFFAOYSA-N
XLogP5.39
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.39
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline?
The IUPAC name of 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline (CID 175016465) is 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline.
What is the SMILES notation for 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline?
The canonical SMILES for 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline is Clc1ccccc1NN=C1C(c2ccccc2)=NCC1c1ccccc1.
What is the InChIKey of 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline?
The InChIKey is XDBSXVAKUDTWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c23-19-13-7-8-14-20(19)25-26-22-18(16-9-3-1-4-10-16)15-24-21(22)17-11-5-2-6-12-17/h1-14,18,25H,15H2.
What are the key properties of 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline?
2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline has a molecular weight of 359.86 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-diphenyl-2,3-dihydropyrrol-4-ylidene)amino]aniline is sourced from PubChem (CID 175016465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).