CID 89277184

C15H12BClF3N3O4 — CID 89277184

IUPAC—
SMILES[B]c1cc(F)cnc1Nc1c(C(=O)NOC[C@H](O)CO)cc(Cl)c(F)c1F
InChIInChI=1S/C15H12BClF3N3O4/c16-9-1-6(18)3-21-14(9)22-13-8(2-10(17)11(19)12(13)20)15(26)23-27-5-7(25)4-24/h1-3,7,24-25H,4-5H2,(H,21,22)(H,23,26)/t7-/m1/s1
InChIKeyWXUKWLGCRAKINH-SSDOTTSWSA-N
MW401.54 g/mol
LogP0.70
Rot. Bonds7

About CID 89277184

CID 89277184 (PubChem CID 89277184) has the molecular formula C15H12BClF3N3O4 and a molecular weight of 401.54 g/mol.

Molecular Properties

Compound NameCID 89277184
PubChem CID89277184
Molecular FormulaC15H12BClF3N3O4
Molecular Weight401.54 g/mol
Exact Mass401.06
IUPAC Name—
SMILES[B]c1cc(F)cnc1Nc1c(C(=O)NOC[C@H](O)CO)cc(Cl)c(F)c1F
InChIInChI=1S/C15H12BClF3N3O4/c16-9-1-6(18)3-21-14(9)22-13-8(2-10(17)11(19)12(13)20)15(26)23-27-5-7(25)4-24/h1-3,7,24-25H,4-5H2,(H,21,22)(H,23,26)/t7-/m1/s1
InChIKeyWXUKWLGCRAKINH-SSDOTTSWSA-N
XLogP0.70
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 89277184 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

5-chloro-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 89277195
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trifluorobenzamide
CID 89278452
CID 89277132
CID 89277132
5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
CID 89278626
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
2-[(3-bromo-5-cyano-2-pyridinyl)amino]-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 24852594
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22285996
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529
CID 89277371
CID 89277371
5-chloro-3,4-difluoro-N-(3-hydroxy-2-methoxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22285951
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-5-chloro-3,4-difluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 143653189
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
CID 89277357

Frequently Asked Questions

What is the IUPAC name of CID 89277184?
The IUPAC name of CID 89277184 (CID 89277184) is not available.
What is the SMILES notation for CID 89277184?
The canonical SMILES for CID 89277184 is [B]c1cc(F)cnc1Nc1c(C(=O)NOC[C@H](O)CO)cc(Cl)c(F)c1F.
What is the InChIKey of CID 89277184?
The InChIKey is WXUKWLGCRAKINH-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H12BClF3N3O4/c16-9-1-6(18)3-21-14(9)22-13-8(2-10(17)11(19)12(13)20)15(26)23-27-5-7(25)4-24/h1-3,7,24-25H,4-5H2,(H,21,22)(H,23,26)/t7-/m1/s1.
What are the key properties of CID 89277184?
CID 89277184 has a molecular weight of 401.54 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89277184 is sourced from PubChem (CID 89277184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).