CID 144672697

C15H13BN2O — CID 144672697

IUPAC—
SMILES[B]c1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H13BN2O/c16-12-5-7-13(8-6-12)17-15(19)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,19)
InChIKeyAMHHICULMGCIQR-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.08
Rot. Bonds1

About CID 144672697

CID 144672697 (PubChem CID 144672697) has the molecular formula C15H13BN2O and a molecular weight of 248.09 g/mol.

Molecular Properties

Compound NameCID 144672697
PubChem CID144672697
Molecular FormulaC15H13BN2O
Molecular Weight248.09 g/mol
Exact Mass248.11
IUPAC Name—
SMILES[B]c1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H13BN2O/c16-12-5-7-13(8-6-12)17-15(19)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,19)
InChIKeyAMHHICULMGCIQR-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90283420
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653

Frequently Asked Questions

What is the IUPAC name of CID 144672697?
The IUPAC name of CID 144672697 (CID 144672697) is not available.
What is the SMILES notation for CID 144672697?
The canonical SMILES for CID 144672697 is [B]c1ccc(NC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of CID 144672697?
The InChIKey is AMHHICULMGCIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BN2O/c16-12-5-7-13(8-6-12)17-15(19)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,19).
What are the key properties of CID 144672697?
CID 144672697 has a molecular weight of 248.09 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144672697 is sourced from PubChem (CID 144672697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).