CID 88970176

C22H19BN2O2 — CID 88970176

IUPAC—
SMILES[B]c1ccc(NC(C)=O)c(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H19BN2O2/c1-15(26)24-20-13-12-18(23)14-19(20)22(27)25-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,24,26)(H,25,27)
InChIKeyZDTMOKSXYKJZSE-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.96
Rot. Bonds5

About CID 88970176

CID 88970176 (PubChem CID 88970176) has the molecular formula C22H19BN2O2 and a molecular weight of 354.22 g/mol.

Molecular Properties

Compound NameCID 88970176
PubChem CID88970176
Molecular FormulaC22H19BN2O2
Molecular Weight354.22 g/mol
Exact Mass354.15
IUPAC Name—
SMILES[B]c1ccc(NC(C)=O)c(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H19BN2O2/c1-15(26)24-20-13-12-18(23)14-19(20)22(27)25-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,24,26)(H,25,27)
InChIKeyZDTMOKSXYKJZSE-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
CID 141427341
N-benzhydryl-2-iodobenzamide
CID 2255693
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
CID 7930966
CID 164856832
CID 164856832
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840

Frequently Asked Questions

What is the IUPAC name of CID 88970176?
The IUPAC name of CID 88970176 (CID 88970176) is not available.
What is the SMILES notation for CID 88970176?
The canonical SMILES for CID 88970176 is [B]c1ccc(NC(C)=O)c(C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of CID 88970176?
The InChIKey is ZDTMOKSXYKJZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BN2O2/c1-15(26)24-20-13-12-18(23)14-19(20)22(27)25-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,24,26)(H,25,27).
What are the key properties of CID 88970176?
CID 88970176 has a molecular weight of 354.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88970176 is sourced from PubChem (CID 88970176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).