CID 175633312

C13H14BF3N2O — CID 175633312

IUPAC—
SMILES[B]c1cc(NC)c(F)c(C(=O)N2CCCC(F)(F)C2)c1
InChIInChI=1S/C13H14BF3N2O/c1-18-10-6-8(14)5-9(11(10)15)12(20)19-4-2-3-13(16,17)7-19/h5-6,18H,2-4,7H2,1H3
InChIKeyOZFWNZVXDQFZDU-UHFFFAOYSA-N
MW282.07 g/mol
LogP1.53
Rot. Bonds2

About CID 175633312

CID 175633312 (PubChem CID 175633312) has the molecular formula C13H14BF3N2O and a molecular weight of 282.07 g/mol.

Molecular Properties

Compound NameCID 175633312
PubChem CID175633312
Molecular FormulaC13H14BF3N2O
Molecular Weight282.07 g/mol
Exact Mass282.12
IUPAC Name—
SMILES[B]c1cc(NC)c(F)c(C(=O)N2CCCC(F)(F)C2)c1
InChIInChI=1S/C13H14BF3N2O/c1-18-10-6-8(14)5-9(11(10)15)12(20)19-4-2-3-13(16,17)7-19/h5-6,18H,2-4,7H2,1H3
InChIKeyOZFWNZVXDQFZDU-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 51.53
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

Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
N-(3-methylphenyl)-3-(trifluoromethyl)benzamide
CID 531807
3'-(Trifluoromethyl)benzanilide
CID 280160
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 39994248
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzamide
CID 532181
3-amino-N,N-diethylbenzamide
CID 268126
4-Fluoro-3'-(trifluoromethyl)benzanilide
CID 306349
3-Amino-N-methylbenzamide
CID 676526
4-Methylphenyl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone
CID 807901
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-fluoro-5-[(4-fluorobenzoyl)amino]benzamide
CID 168287836
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 168290241

Frequently Asked Questions

What is the IUPAC name of CID 175633312?
The IUPAC name of CID 175633312 (CID 175633312) is not available.
What is the SMILES notation for CID 175633312?
The canonical SMILES for CID 175633312 is [B]c1cc(NC)c(F)c(C(=O)N2CCCC(F)(F)C2)c1.
What is the InChIKey of CID 175633312?
The InChIKey is OZFWNZVXDQFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BF3N2O/c1-18-10-6-8(14)5-9(11(10)15)12(20)19-4-2-3-13(16,17)7-19/h5-6,18H,2-4,7H2,1H3.
What are the key properties of CID 175633312?
CID 175633312 has a molecular weight of 282.07 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175633312 is sourced from PubChem (CID 175633312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).