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

C19H16BrN5O — CID 55729787

IUPAC3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H16BrN5O/c1-12(13-6-8-14(9-7-13)25-11-21-10-22-25)23-19(26)18-17(20)15-4-2-3-5-16(15)24-18/h2-12,24H,1H3,(H,23,26)
InChIKeyPOZAZQVNFSDHAB-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.00
Rot. Bonds4

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

3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 55729787) has the molecular formula C19H16BrN5O and a molecular weight of 410.28 g/mol. Its IUPAC name is 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID55729787
Molecular FormulaC19H16BrN5O
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H16BrN5O/c1-12(13-6-8-14(9-7-13)25-11-21-10-22-25)23-19(26)18-17(20)15-4-2-3-5-16(15)24-18/h2-12,24H,1H3,(H,23,26)
InChIKeyPOZAZQVNFSDHAB-UHFFFAOYSA-N
XLogP4.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
CID 55663277
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
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17470523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide (CID 55729787) is 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is POZAZQVNFSDHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O/c1-12(13-6-8-14(9-7-13)25-11-21-10-22-25)23-19(26)18-17(20)15-4-2-3-5-16(15)24-18/h2-12,24H,1H3,(H,23,26).
What are the key properties of 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 410.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55729787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).