CID 153280818

C16H10BClFN4O3 — CID 153280818

IUPAC—
SMILESO=C[B]Nc1nc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2Cl)co1
InChIInChI=1S/C16H10BClFN4O3/c18-11-3-1-9(10-2-4-14(19)20-6-10)5-12(11)21-15(25)13-7-26-16(22-13)23-17-8-24/h1-8H,(H,21,25)(H,22,23)
InChIKeyGWEMMLQFGCGRTD-UHFFFAOYSA-N
MW371.54 g/mol
LogP3.00
Rot. Bonds6

About CID 153280818

CID 153280818 (PubChem CID 153280818) has the molecular formula C16H10BClFN4O3 and a molecular weight of 371.54 g/mol.

Molecular Properties

Compound NameCID 153280818
PubChem CID153280818
Molecular FormulaC16H10BClFN4O3
Molecular Weight371.54 g/mol
Exact Mass371.05
IUPAC Name—
SMILESO=C[B]Nc1nc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2Cl)co1
InChIInChI=1S/C16H10BClFN4O3/c18-11-3-1-9(10-2-4-14(19)20-6-10)5-12(11)21-15(25)13-7-26-16(22-13)23-17-8-24/h1-8H,(H,21,25)(H,22,23)
InChIKeyGWEMMLQFGCGRTD-UHFFFAOYSA-N
XLogP3.00
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 153280811
CID 153280811
2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 146263255
2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186965
2-amino-N-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257772
N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186929
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
2-fluoro-5-(3,4,5-trichlorophenyl)pyridine
CID 133089947
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788

Frequently Asked Questions

What is the IUPAC name of CID 153280818?
The IUPAC name of CID 153280818 (CID 153280818) is not available.
What is the SMILES notation for CID 153280818?
The canonical SMILES for CID 153280818 is O=C[B]Nc1nc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2Cl)co1.
What is the InChIKey of CID 153280818?
The InChIKey is GWEMMLQFGCGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BClFN4O3/c18-11-3-1-9(10-2-4-14(19)20-6-10)5-12(11)21-15(25)13-7-26-16(22-13)23-17-8-24/h1-8H,(H,21,25)(H,22,23).
What are the key properties of CID 153280818?
CID 153280818 has a molecular weight of 371.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153280818 is sourced from PubChem (CID 153280818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).