(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate

C9H7BrFN3O2 — CID 70921836

IUPAC(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2cc(Br)cc(F)c2c1N
InChIInChI=1S/C9H7BrFN3O2/c10-3-1-4(11)6-5(2-3)14-8(7(6)12)16-9(13)15/h1-2,14H,12H2,(H2,13,15)
InChIKeyNDUCJXAEWIFCEZ-UHFFFAOYSA-N
MW288.08 g/mol
LogP2.11
Rot. Bonds1

About (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate

(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate (PubChem CID 70921836) has the molecular formula C9H7BrFN3O2 and a molecular weight of 288.08 g/mol. Its IUPAC name is (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate.

Molecular Properties

Compound Name(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate
PubChem CID70921836
Molecular FormulaC9H7BrFN3O2
Molecular Weight288.08 g/mol
Exact Mass286.97
IUPAC Name(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate
SMILESNC(=O)Oc1[nH]c2cc(Br)cc(F)c2c1N
InChIInChI=1S/C9H7BrFN3O2/c10-3-1-4(11)6-5(2-3)14-8(7(6)12)16-9(13)15/h1-2,14H,12H2,(H2,13,15)
InChIKeyNDUCJXAEWIFCEZ-UHFFFAOYSA-N
XLogP2.11
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate 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

ethyl 6-bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate
CID 3366220
(3,5-dibromophenyl) carbamate
CID 175177777
(3-amino-7-bromo-1H-indol-2-yl) carbamate
CID 68808355
2-amino-5-bromo-3-fluoro-N-methylbenzamide
CID 67263746
(2-amino-4-bromo-6-chlorophenyl) carbamate
CID 131183552
2-amino-4-bromo-6-fluorobenzoic acid
CID 67257607
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
(2-bromo-5-chlorophenyl) carbamate
CID 174508201
(2,6-difluoro-4-iodophenyl) carbamate
CID 175005492

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate?
The IUPAC name of (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate (CID 70921836) is (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate.
What is the SMILES notation for (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate?
The canonical SMILES for (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate is NC(=O)Oc1[nH]c2cc(Br)cc(F)c2c1N.
What is the InChIKey of (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate?
The InChIKey is NDUCJXAEWIFCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O2/c10-3-1-4(11)6-5(2-3)14-8(7(6)12)16-9(13)15/h1-2,14H,12H2,(H2,13,15).
What are the key properties of (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate?
(3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate has a molecular weight of 288.08 g/mol, XLogP of 2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-bromo-4-fluoro-1H-indol-2-yl) carbamate is sourced from PubChem (CID 70921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).