3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide

C10H11BrN2O — CID 130044327

IUPAC3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide
SMILESNC(=O)c1cc(Br)cc2c1C(N)CC2
InChIInChI=1S/C10H11BrN2O/c11-6-3-5-1-2-8(12)9(5)7(4-6)10(13)14/h3-4,8H,1-2,12H2,(H2,13,14)
InChIKeyVGDAOLBGDLRYLL-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.49
Rot. Bonds1

About 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide

3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 130044327) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID130044327
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide
SMILESNC(=O)c1cc(Br)cc2c1C(N)CC2
InChIInChI=1S/C10H11BrN2O/c11-6-3-5-1-2-8(12)9(5)7(4-6)10(13)14/h3-4,8H,1-2,12H2,(H2,13,14)
InChIKeyVGDAOLBGDLRYLL-UHFFFAOYSA-N
XLogP1.49
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 85263754
(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
CID 130626632
(1R)-6-bromo-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131146254
1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
CID 57180230
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone
CID 104541332
5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol
CID 155906276
2-(2-aminocyclohexyl)oxy-4-bromobenzamide
CID 114907115
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
CID 166534603
(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
CID 131086555

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide (CID 130044327) is 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide is NC(=O)c1cc(Br)cc2c1C(N)CC2.
What is the InChIKey of 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is VGDAOLBGDLRYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-6-3-5-1-2-8(12)9(5)7(4-6)10(13)14/h3-4,8H,1-2,12H2,(H2,13,14).
What are the key properties of 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide?
3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 255.11 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 130044327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).