(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide

C10H11BrN2O — CID 130626632

IUPAC(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
SMILESNC(=O)c1ccc(Br)c2c1CC[C@@H]2N
InChIInChI=1S/C10H11BrN2O/c11-7-3-1-6(10(13)14)5-2-4-8(12)9(5)7/h1,3,8H,2,4,12H2,(H2,13,14)/t8-/m0/s1
InChIKeyGQBOYRKDOYNBNY-QMMMGPOBSA-N
MW255.11 g/mol
LogP1.49
Rot. Bonds1

About (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide

(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 130626632) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID130626632
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
SMILESNC(=O)c1ccc(Br)c2c1CC[C@@H]2N
InChIInChI=1S/C10H11BrN2O/c11-7-3-1-6(10(13)14)5-2-4-8(12)9(5)7/h1,3,8H,2,4,12H2,(H2,13,14)/t8-/m0/s1
InChIKeyGQBOYRKDOYNBNY-QMMMGPOBSA-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

(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
CID 130647724
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 131076803
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
3-amino-6-bromo-2,3-dihydro-1H-indene-4-carboxamide
CID 130044327
1,4-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736180
3-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 85263754
4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide
CID 149293643
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 130044186
1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide
CID 158801497
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 130362598
1-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 135337152

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide (CID 130626632) is (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide is NC(=O)c1ccc(Br)c2c1CC[C@@H]2N.
What is the InChIKey of (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is GQBOYRKDOYNBNY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-7-3-1-6(10(13)14)5-2-4-8(12)9(5)7/h1,3,8H,2,4,12H2,(H2,13,14)/t8-/m0/s1.
What are the key properties of (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-1-amino-7-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 (1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 130626632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).