N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide

C17H14ClIN2O — CID 17271850

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(I)c1
InChIInChI=1S/C17H14ClIN2O/c18-13-4-5-16-15(9-13)12(10-21-16)6-7-20-17(22)11-2-1-3-14(19)8-11/h1-5,8-10,21H,6-7H2,(H,20,22)
InChIKeyKGGKUIWNWOYPNQ-UHFFFAOYSA-N
MW424.67 g/mol
LogP4.40
Rot. Bonds4

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide (PubChem CID 17271850) has the molecular formula C17H14ClIN2O and a molecular weight of 424.67 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
PubChem CID17271850
Molecular FormulaC17H14ClIN2O
Molecular Weight424.67 g/mol
Exact Mass423.98
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(I)c1
InChIInChI=1S/C17H14ClIN2O/c18-13-4-5-16-15(9-13)12(10-21-16)6-7-20-17(22)11-2-1-3-14(19)8-11/h1-5,8-10,21H,6-7H2,(H,20,22)
InChIKeyKGGKUIWNWOYPNQ-UHFFFAOYSA-N
XLogP4.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 54.40
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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide
CID 86699438
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[3-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 50787302
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide (CID 17271850) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(I)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide?
The InChIKey is KGGKUIWNWOYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClIN2O/c18-13-4-5-16-15(9-13)12(10-21-16)6-7-20-17(22)11-2-1-3-14(19)8-11/h1-5,8-10,21H,6-7H2,(H,20,22).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide has a molecular weight of 424.67 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide is sourced from PubChem (CID 17271850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).