CID 174030301

C24H19BF5N3O5 — CID 174030301

IUPAC—
SMILES[B]C1(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(OC)cc4C(F)(F)F)ccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C24H19BF5N3O5/c1-38-14-3-5-16(17(9-14)24(28,29)30)23(26,27)21(37)31-10-12-2-4-15-13(8-12)11-33(19(15)35)22(25)7-6-18(34)32-20(22)36/h2-5,8-9H,6-7,10-11H2,1H3,(H,31,37)(H,32,34,36)
InChIKeyYTMICFLWMSDZDT-UHFFFAOYSA-N
MW535.23 g/mol
LogP2.38
Rot. Bonds6

About CID 174030301

CID 174030301 (PubChem CID 174030301) has the molecular formula C24H19BF5N3O5 and a molecular weight of 535.23 g/mol.

Molecular Properties

Compound NameCID 174030301
PubChem CID174030301
Molecular FormulaC24H19BF5N3O5
Molecular Weight535.23 g/mol
Exact Mass535.13
IUPAC Name—
SMILES[B]C1(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(OC)cc4C(F)(F)F)ccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C24H19BF5N3O5/c1-38-14-3-5-16(17(9-14)24(28,29)30)23(26,27)21(37)31-10-12-2-4-15-13(8-12)11-33(19(15)35)22(25)7-6-18(34)32-20(22)36/h2-5,8-9H,6-7,10-11H2,1H3,(H,31,37)(H,32,34,36)
InChIKeyYTMICFLWMSDZDT-UHFFFAOYSA-N
XLogP2.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 174030301 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174095830
CID 174095830
CID 174030294
CID 174030294
2-(2,5-dimethoxyphenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 118647015
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-[2-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 118647097
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(2-methyl-4-propan-2-yloxyphenyl)acetamide
CID 118646991
2,2-difluoro-2-[2-methyl-4-(trifluoromethoxy)phenyl]-N-[[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-5-yl]methyl]acetamide
CID 146619846
CID 174071294
CID 174071294
CID 174095859
CID 174095859
N-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(2-hydroxyphenyl)acetamide
CID 175954660
2-[4-chloro-2-(trifluoromethoxy)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 118647031
N-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(4-methylsulfonylphenyl)acetamide
CID 175954644
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(4-methylsulfanylphenyl)acetamide
CID 170312895

Frequently Asked Questions

What is the IUPAC name of CID 174030301?
The IUPAC name of CID 174030301 (CID 174030301) is not available.
What is the SMILES notation for CID 174030301?
The canonical SMILES for CID 174030301 is [B]C1(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(OC)cc4C(F)(F)F)ccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of CID 174030301?
The InChIKey is YTMICFLWMSDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BF5N3O5/c1-38-14-3-5-16(17(9-14)24(28,29)30)23(26,27)21(37)31-10-12-2-4-15-13(8-12)11-33(19(15)35)22(25)7-6-18(34)32-20(22)36/h2-5,8-9H,6-7,10-11H2,1H3,(H,31,37)(H,32,34,36).
What are the key properties of CID 174030301?
CID 174030301 has a molecular weight of 535.23 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174030301 is sourced from PubChem (CID 174030301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).