3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide

C20H18ClN5O — CID 55663277

IUPAC3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
SMILESCC(NC(=O)c1c(Cl)c2ccccc2n1C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H18ClN5O/c1-13(14-7-9-15(10-8-14)26-12-22-11-23-26)24-20(27)19-18(21)16-5-3-4-6-17(16)25(19)2/h3-13H,1-2H3,(H,24,27)
InChIKeyQAMPRCQEXSZZLX-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.90
Rot. Bonds4

About 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide

3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide (PubChem CID 55663277) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
PubChem CID55663277
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
SMILESCC(NC(=O)c1c(Cl)c2ccccc2n1C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H18ClN5O/c1-13(14-7-9-15(10-8-14)26-12-22-11-23-26)24-20(27)19-18(21)16-5-3-4-6-17(16)25(19)2/h3-13H,1-2H3,(H,24,27)
InChIKeyQAMPRCQEXSZZLX-UHFFFAOYSA-N
XLogP3.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 55729787
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 47017963
3-chloro-N-[2-oxo-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 27865283
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
2,4-dichloro-5-fluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 78810362
2,3-dichloro-N-[1-oxo-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]propan-2-yl]benzamide
CID 55741370
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide?
The IUPAC name of 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide (CID 55663277) is 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide.
What is the SMILES notation for 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide?
The canonical SMILES for 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide is CC(NC(=O)c1c(Cl)c2ccccc2n1C)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide?
The InChIKey is QAMPRCQEXSZZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-13(14-7-9-15(10-8-14)26-12-22-11-23-26)24-20(27)19-18(21)16-5-3-4-6-17(16)25(19)2/h3-13H,1-2H3,(H,24,27).
What are the key properties of 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide?
3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 55663277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).