CID 89277371

C16H16BF2N3O3 — CID 89277371

IUPAC—
SMILES[B]c1cc(C(=O)NOCCO)c(Nc2ncc(C)cc2C)c(F)c1F
InChIInChI=1S/C16H16BF2N3O3/c1-8-5-9(2)15(20-7-8)21-14-10(16(24)22-25-4-3-23)6-11(17)12(18)13(14)19/h5-7,23H,3-4H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyMMVDZPVJBLOLJP-UHFFFAOYSA-N
MW347.13 g/mol
LogP1.17
Rot. Bonds6

About CID 89277371

CID 89277371 (PubChem CID 89277371) has the molecular formula C16H16BF2N3O3 and a molecular weight of 347.13 g/mol.

Molecular Properties

Compound NameCID 89277371
PubChem CID89277371
Molecular FormulaC16H16BF2N3O3
Molecular Weight347.13 g/mol
Exact Mass347.13
IUPAC Name—
SMILES[B]c1cc(C(=O)NOCCO)c(Nc2ncc(C)cc2C)c(F)c1F
InChIInChI=1S/C16H16BF2N3O3/c1-8-5-9(2)15(20-7-8)21-14-10(16(24)22-25-4-3-23)6-11(17)12(18)13(14)19/h5-7,23H,3-4H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyMMVDZPVJBLOLJP-UHFFFAOYSA-N
XLogP1.17
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
CID 89277357
CID 89277132
CID 89277132
CID 89277166
CID 89277166
5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 162553221
5-chloro-2-[(3,5-dimethyl-2-pyridinyl)amino]-3,4-difluorobenzoic acid
CID 89277151
5-chloro-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 89277195
5-bromo-2-[(5-ethenyl-3-methyl-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
CID 89277335
CID 89277184
CID 89277184
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 24851892
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-5-chloro-3,4-difluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 143653189
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-(formamidomethyl)-N-(2-hydroxyethoxy)benzamide
CID 143173044
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-[(Z)-2-hydroxyethoxyiminomethyl]benzamide
CID 143019291

Frequently Asked Questions

What is the IUPAC name of CID 89277371?
The IUPAC name of CID 89277371 (CID 89277371) is not available.
What is the SMILES notation for CID 89277371?
The canonical SMILES for CID 89277371 is [B]c1cc(C(=O)NOCCO)c(Nc2ncc(C)cc2C)c(F)c1F.
What is the InChIKey of CID 89277371?
The InChIKey is MMVDZPVJBLOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BF2N3O3/c1-8-5-9(2)15(20-7-8)21-14-10(16(24)22-25-4-3-23)6-11(17)12(18)13(14)19/h5-7,23H,3-4H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of CID 89277371?
CID 89277371 has a molecular weight of 347.13 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89277371 is sourced from PubChem (CID 89277371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).