5-(3-chlorophenyl)-1H-indole-7-carboxamide

C15H11ClN2O — CID 54581284

IUPAC5-(3-chlorophenyl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccc(Cl)c2)cc2cc[nH]c12
InChIInChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)
InChIKeyZGJJDVFYTUIBGI-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.59
Rot. Bonds2

About 5-(3-chlorophenyl)-1H-indole-7-carboxamide

5-(3-chlorophenyl)-1H-indole-7-carboxamide (PubChem CID 54581284) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1H-indole-7-carboxamide
PubChem CID54581284
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-(3-chlorophenyl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccc(Cl)c2)cc2cc[nH]c12
InChIInChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)
InChIKeyZGJJDVFYTUIBGI-UHFFFAOYSA-N
XLogP3.59
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 33625
CID 33625
CID 5113032
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CID 14973220
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CID 38102
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CID 12802
CID 12802
CID 65768
CID 65768
CID 2192542
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CID 1809
CID 1809
CID 2814138
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CID 4868392
CID 4868392
CID 135495642
CID 135495642
CID 20810
CID 20810

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1H-indole-7-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-1H-indole-7-carboxamide (CID 54581284) is 5-(3-chlorophenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-1H-indole-7-carboxamide is NC(=O)c1cc(-c2cccc(Cl)c2)cc2cc[nH]c12.
What is the InChIKey of 5-(3-chlorophenyl)-1H-indole-7-carboxamide?
The InChIKey is ZGJJDVFYTUIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19).
What are the key properties of 5-(3-chlorophenyl)-1H-indole-7-carboxamide?
5-(3-chlorophenyl)-1H-indole-7-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 54581284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).