5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide

C11H11BrN4O3 — CID 67071846

IUPAC5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]c(NC(N)=O)c(C(N)=O)c2cc1Br
InChIInChI=1S/C11H11BrN4O3/c1-19-7-3-6-4(2-5(7)12)8(9(13)17)10(15-6)16-11(14)18/h2-3,15H,1H3,(H2,13,17)(H3,14,16,18)
InChIKeyAYVMBNFKARTETI-UHFFFAOYSA-N
MW327.14 g/mol
LogP1.53
Rot. Bonds3

About 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide

5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide (PubChem CID 67071846) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide
PubChem CID67071846
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]c(NC(N)=O)c(C(N)=O)c2cc1Br
InChIInChI=1S/C11H11BrN4O3/c1-19-7-3-6-4(2-5(7)12)8(9(13)17)10(15-6)16-11(14)18/h2-3,15H,1H3,(H2,13,17)(H3,14,16,18)
InChIKeyAYVMBNFKARTETI-UHFFFAOYSA-N
XLogP1.53
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide
CID 174277153
6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 24988325
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
CID 16726758
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
1-[6-bromo-5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 130400073
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
CID 59189868
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
(2,4-dibromo-6-methoxyphenyl)thiourea
CID 138682629
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285843

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide (CID 67071846) is 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide is COc1cc2[nH]c(NC(N)=O)c(C(N)=O)c2cc1Br.
What is the InChIKey of 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is AYVMBNFKARTETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c1-19-7-3-6-4(2-5(7)12)8(9(13)17)10(15-6)16-11(14)18/h2-3,15H,1H3,(H2,13,17)(H3,14,16,18).
What are the key properties of 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide?
5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 327.14 g/mol, XLogP of 1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 67071846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).