CID 171491828

C19H17BF4N2O2 — CID 171491828

IUPAC—
SMILES[B]C(C(=O)Nc1ccccc1F)C(CN(C)C=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17BF4N2O2/c1-26(11-27)10-14(12-6-8-13(9-7-12)19(22,23)24)17(20)18(28)25-16-5-3-2-4-15(16)21/h2-9,11,14,17H,10H2,1H3,(H,25,28)
InChIKeyTWLPWNJGNBIRDY-UHFFFAOYSA-N
MW392.16 g/mol
LogP3.61
Rot. Bonds7

About CID 171491828

CID 171491828 (PubChem CID 171491828) has the molecular formula C19H17BF4N2O2 and a molecular weight of 392.16 g/mol.

Molecular Properties

Compound NameCID 171491828
PubChem CID171491828
Molecular FormulaC19H17BF4N2O2
Molecular Weight392.16 g/mol
Exact Mass392.13
IUPAC Name—
SMILES[B]C(C(=O)Nc1ccccc1F)C(CN(C)C=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17BF4N2O2/c1-26(11-27)10-14(12-6-8-13(9-7-12)19(22,23)24)17(20)18(28)25-16-5-3-2-4-15(16)21/h2-9,11,14,17H,10H2,1H3,(H,25,28)
InChIKeyTWLPWNJGNBIRDY-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108968722
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
3-(2-fluorophenyl)-N-quinolin-5-yl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 46175882
2-(2-fluoroanilino)-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 44631913
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815

Frequently Asked Questions

What is the IUPAC name of CID 171491828?
The IUPAC name of CID 171491828 (CID 171491828) is not available.
What is the SMILES notation for CID 171491828?
The canonical SMILES for CID 171491828 is [B]C(C(=O)Nc1ccccc1F)C(CN(C)C=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of CID 171491828?
The InChIKey is TWLPWNJGNBIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BF4N2O2/c1-26(11-27)10-14(12-6-8-13(9-7-12)19(22,23)24)17(20)18(28)25-16-5-3-2-4-15(16)21/h2-9,11,14,17H,10H2,1H3,(H,25,28).
What are the key properties of CID 171491828?
CID 171491828 has a molecular weight of 392.16 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171491828 is sourced from PubChem (CID 171491828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).