4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline

C16H14ClN3 — CID 155559681

IUPAC4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline
SMILESCc1[nH]c2ccccc2c1/C=N\Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-11-15(14-4-2-3-5-16(14)19-11)10-18-20-13-8-6-12(17)7-9-13/h2-10,19-20H,1H3/b18-10-
InChIKeyMPZJHHOHSQVTGT-ZDLGFXPLSA-N
MW283.76 g/mol
LogP4.58
Rot. Bonds3

About 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline

4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline (PubChem CID 155559681) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline
PubChem CID155559681
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline
SMILESCc1[nH]c2ccccc2c1/C=N\Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-11-15(14-4-2-3-5-16(14)19-11)10-18-20-13-8-6-12(17)7-9-13/h2-10,19-20H,1H3/b18-10-
InChIKeyMPZJHHOHSQVTGT-ZDLGFXPLSA-N
XLogP4.58
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'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 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline (CID 155559681) is 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline is Cc1[nH]c2ccccc2c1/C=N\Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
The InChIKey is MPZJHHOHSQVTGT-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-15(14-4-2-3-5-16(14)19-11)10-18-20-13-8-6-12(17)7-9-13/h2-10,19-20H,1H3/b18-10-.
What are the key properties of 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline has a molecular weight of 283.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 155559681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).