5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide

C18H16ClIN2O2 — CID 58475128

IUPAC5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2[nH]c3ccc(Cl)cc3c2I)cc1
InChIInChI=1S/C18H16ClIN2O2/c1-10(11-3-6-13(24-2)7-4-11)21-18(23)17-16(20)14-9-12(19)5-8-15(14)22-17/h3-10,22H,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyMXTWQZQWPOQQDQ-SNVBAGLBSA-N
MW454.70 g/mol
LogP4.93
Rot. Bonds4

About 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide

5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 58475128) has the molecular formula C18H16ClIN2O2 and a molecular weight of 454.70 g/mol. Its IUPAC name is 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID58475128
Molecular FormulaC18H16ClIN2O2
Molecular Weight454.70 g/mol
Exact Mass453.99
IUPAC Name5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2[nH]c3ccc(Cl)cc3c2I)cc1
InChIInChI=1S/C18H16ClIN2O2/c1-10(11-3-6-13(24-2)7-4-11)21-18(23)17-16(20)14-9-12(19)5-8-15(14)22-17/h3-10,22H,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyMXTWQZQWPOQQDQ-SNVBAGLBSA-N
XLogP4.93
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.70
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 95058276
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 113205404
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-(4-chloro-2-methylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510319
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 58475128) is 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1ccc([C@@H](C)NC(=O)c2[nH]c3ccc(Cl)cc3c2I)cc1.
What is the InChIKey of 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is MXTWQZQWPOQQDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16ClIN2O2/c1-10(11-3-6-13(24-2)7-4-11)21-18(23)17-16(20)14-9-12(19)5-8-15(14)22-17/h3-10,22H,1-2H3,(H,21,23)/t10-/m1/s1.
What are the key properties of 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 454.70 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 58475128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).