4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline

C15H12ClIN2 — CID 107631753

IUPAC4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
SMILESClc1ccc(NCc2ccc3[nH]ccc3c2)c(I)c1
InChIInChI=1S/C15H12ClIN2/c16-12-2-4-15(13(17)8-12)19-9-10-1-3-14-11(7-10)5-6-18-14/h1-8,18-19H,9H2
InChIKeyOBQVOWVNKXRLCT-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.04
Rot. Bonds3

About 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline

4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline (PubChem CID 107631753) has the molecular formula C15H12ClIN2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
PubChem CID107631753
Molecular FormulaC15H12ClIN2
Molecular Weight382.63 g/mol
Exact Mass381.97
IUPAC Name4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
SMILESClc1ccc(NCc2ccc3[nH]ccc3c2)c(I)c1
InChIInChI=1S/C15H12ClIN2/c16-12-2-4-15(13(17)8-12)19-9-10-1-3-14-11(7-10)5-6-18-14/h1-8,18-19H,9H2
InChIKeyOBQVOWVNKXRLCT-UHFFFAOYSA-N
XLogP5.04
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102909199
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
5-bromo-2,4-difluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102912272
5-[(4-chlorophenyl)methyl]-1H-indole
CID 22417702
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
4-chloro-N-[(4-chloro-3-nitrophenyl)methyl]-2-iodoaniline
CID 107635221
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
2-fluoro-N-(1H-indol-5-ylmethyl)-5-nitroaniline
CID 102909701
N-(2,4-dichlorophenyl)-2-(1H-indol-5-yl)acetamide
CID 110476487
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline?
The IUPAC name of 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline (CID 107631753) is 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline?
The canonical SMILES for 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline is Clc1ccc(NCc2ccc3[nH]ccc3c2)c(I)c1.
What is the InChIKey of 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline?
The InChIKey is OBQVOWVNKXRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2/c16-12-2-4-15(13(17)8-12)19-9-10-1-3-14-11(7-10)5-6-18-14/h1-8,18-19H,9H2.
What are the key properties of 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline?
4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline has a molecular weight of 382.63 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline is sourced from PubChem (CID 107631753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).