CID 87065455

C17H15BN2O — CID 87065455

IUPAC—
SMILES[B]c1cc(C)ccc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H15BN2O/c1-11-7-8-15(14(18)9-11)19-17(21)13-10-20(2)16-6-4-3-5-12(13)16/h3-10H,1-2H3,(H,19,21)
InChIKeyPZHFJSCLJPOHQN-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.53
Rot. Bonds2

About CID 87065455

CID 87065455 (PubChem CID 87065455) has the molecular formula C17H15BN2O and a molecular weight of 274.13 g/mol.

Molecular Properties

Compound NameCID 87065455
PubChem CID87065455
Molecular FormulaC17H15BN2O
Molecular Weight274.13 g/mol
Exact Mass274.13
IUPAC Name—
SMILES[B]c1cc(C)ccc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H15BN2O/c1-11-7-8-15(14(18)9-11)19-17(21)13-10-20(2)16-6-4-3-5-12(13)16/h3-10H,1-2H3,(H,19,21)
InChIKeyPZHFJSCLJPOHQN-UHFFFAOYSA-N
XLogP2.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
CID 55736422
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
4-[(1-methylindole-3-carbonyl)amino]-3-(2-methylpropyl)benzoic acid
CID 167983993
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
N-ethyl-1-methylindole-3-carboxamide
CID 25348690

Frequently Asked Questions

What is the IUPAC name of CID 87065455?
The IUPAC name of CID 87065455 (CID 87065455) is not available.
What is the SMILES notation for CID 87065455?
The canonical SMILES for CID 87065455 is [B]c1cc(C)ccc1NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of CID 87065455?
The InChIKey is PZHFJSCLJPOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BN2O/c1-11-7-8-15(14(18)9-11)19-17(21)13-10-20(2)16-6-4-3-5-12(13)16/h3-10H,1-2H3,(H,19,21).
What are the key properties of CID 87065455?
CID 87065455 has a molecular weight of 274.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87065455 is sourced from PubChem (CID 87065455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).