7-bromo-N,N,1-triethylindole-2-carboxamide

C15H19BrN2O — CID 171663013

IUPAC7-bromo-N,N,1-triethylindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cccc(Br)c2n1CC
InChIInChI=1S/C15H19BrN2O/c1-4-17(5-2)15(19)13-10-11-8-7-9-12(16)14(11)18(13)6-3/h7-10H,4-6H2,1-3H3
InChIKeyPTMYNTFSEHXJNF-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.91
Rot. Bonds4

About 7-bromo-N,N,1-triethylindole-2-carboxamide

7-bromo-N,N,1-triethylindole-2-carboxamide (PubChem CID 171663013) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 7-bromo-N,N,1-triethylindole-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N,N,1-triethylindole-2-carboxamide
PubChem CID171663013
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name7-bromo-N,N,1-triethylindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cccc(Br)c2n1CC
InChIInChI=1S/C15H19BrN2O/c1-4-17(5-2)15(19)13-10-11-8-7-9-12(16)14(11)18(13)6-3/h7-10H,4-6H2,1-3H3
InChIKeyPTMYNTFSEHXJNF-UHFFFAOYSA-N
XLogP3.91
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
CID 171663017
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171663023
ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940
2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
CID 82379701
tert-butyl 4-(7-bromo-1-ethylindole-2-carbonyl)-2-methylpiperazine-1-carboxylate
CID 171663027
tert-butyl (3R)-4-(7-bromo-1-ethylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 171663032
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
CID 117196972
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
CID 178180601
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,N,1-triethylindole-2-carboxamide?
The IUPAC name of 7-bromo-N,N,1-triethylindole-2-carboxamide (CID 171663013) is 7-bromo-N,N,1-triethylindole-2-carboxamide.
What is the SMILES notation for 7-bromo-N,N,1-triethylindole-2-carboxamide?
The canonical SMILES for 7-bromo-N,N,1-triethylindole-2-carboxamide is CCN(CC)C(=O)c1cc2cccc(Br)c2n1CC.
What is the InChIKey of 7-bromo-N,N,1-triethylindole-2-carboxamide?
The InChIKey is PTMYNTFSEHXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-17(5-2)15(19)13-10-11-8-7-9-12(16)14(11)18(13)6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 7-bromo-N,N,1-triethylindole-2-carboxamide?
7-bromo-N,N,1-triethylindole-2-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,N,1-triethylindole-2-carboxamide is sourced from PubChem (CID 171663013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).