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

C16H14ClN3 — CID 3656134

IUPAC2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
SMILESCc1[nH]c2ccccc2c1C=NNc1ccccc1Cl
InChIInChI=1S/C16H14ClN3/c1-11-13(12-6-2-4-8-15(12)19-11)10-18-20-16-9-5-3-7-14(16)17/h2-10,19-20H,1H3
InChIKeyPKGOCCCUGHYBGA-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.58
Rot. Bonds3

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

2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline (PubChem CID 3656134) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
PubChem CID3656134
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
SMILESCc1[nH]c2ccccc2c1C=NNc1ccccc1Cl
InChIInChI=1S/C16H14ClN3/c1-11-13(12-6-2-4-8-15(12)19-11)10-18-20-16-9-5-3-7-14(16)17/h2-10,19-20H,1H3
InChIKeyPKGOCCCUGHYBGA-UHFFFAOYSA-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'}

Analyze 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]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

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336
4-[2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4990748
N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
CID 137045142
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-nitroaniline
CID 135580611
N-(4-chlorophenyl)-2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 135490317
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
CID 23476794
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
The IUPAC name of 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline (CID 3656134) is 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline is Cc1[nH]c2ccccc2c1C=NNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
The InChIKey is PKGOCCCUGHYBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-13(12-6-2-4-8-15(12)19-11)10-18-20-16-9-5-3-7-14(16)17/h2-10,19-20H,1H3.
What are the key properties of 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline?
2-chloro-N-[(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 2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 3656134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).