N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide

C15H13BrN2O — CID 80565871

IUPACN-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CNc2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-10-4-3-5-11(8-10)18-15(19)13-9-17-14-7-2-1-6-12(13)14/h1-8,13,17H,9H2,(H,18,19)
InChIKeyKLQAINPIIKAGQM-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.60
Rot. Bonds2

About N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565871) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565871
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC NameN-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CNc2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-10-4-3-5-11(8-10)18-15(19)13-9-17-14-7-2-1-6-12(13)14/h1-8,13,17H,9H2,(H,18,19)
InChIKeyKLQAINPIIKAGQM-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407
N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565893
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
CID 80563548
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564486

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80565871) is N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CNc2ccccc21.
What is the InChIKey of N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is KLQAINPIIKAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-10-4-3-5-11(8-10)18-15(19)13-9-17-14-7-2-1-6-12(13)14/h1-8,13,17H,9H2,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 317.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).