CID 149308165

C8H10BN2O — CID 149308165

IUPAC—
SMILESC[B]NC(=O)c1ccc(N)cc1
InChIInChI=1S/C8H10BN2O/c1-9-11-8(12)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3,(H,11,12)
InChIKeyMNVHDLIQYQLZLG-UHFFFAOYSA-N
MW160.99 g/mol
LogP0.67
Rot. Bonds2

About CID 149308165

CID 149308165 (PubChem CID 149308165) has the molecular formula C8H10BN2O and a molecular weight of 160.99 g/mol.

Molecular Properties

Compound NameCID 149308165
PubChem CID149308165
Molecular FormulaC8H10BN2O
Molecular Weight160.99 g/mol
Exact Mass161.09
IUPAC Name—
SMILESC[B]NC(=O)c1ccc(N)cc1
InChIInChI=1S/C8H10BN2O/c1-9-11-8(12)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3,(H,11,12)
InChIKeyMNVHDLIQYQLZLG-UHFFFAOYSA-N
XLogP0.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.99
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
[(4-aminobenzoyl)amino]carbamic acid
CID 175797538
4-amino-N-(2-oxoethyl)benzamide
CID 54395026
4-amino-N-ethoxybenzamide
CID 62058413
4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide
CID 16688807
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
4-amino-N-cyanobenzamide
CID 12713849

Frequently Asked Questions

What is the IUPAC name of CID 149308165?
The IUPAC name of CID 149308165 (CID 149308165) is not available.
What is the SMILES notation for CID 149308165?
The canonical SMILES for CID 149308165 is C[B]NC(=O)c1ccc(N)cc1.
What is the InChIKey of CID 149308165?
The InChIKey is MNVHDLIQYQLZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN2O/c1-9-11-8(12)6-2-4-7(10)5-3-6/h2-5H,10H2,1H3,(H,11,12).
What are the key properties of CID 149308165?
CID 149308165 has a molecular weight of 160.99 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149308165 is sourced from PubChem (CID 149308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).