2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide

C15H14ClFN2O2 — CID 115951601

IUPAC2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2cccc(F)c2O)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-18-15(21)11-7-10(5-6-12(11)16)19-8-9-3-2-4-13(17)14(9)20/h2-7,19-20H,8H2,1H3,(H,18,21)
InChIKeyJCDLSMZUDMNENO-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide

2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide (PubChem CID 115951601) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
PubChem CID115951601
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2cccc(F)c2O)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-18-15(21)11-7-10(5-6-12(11)16)19-8-9-3-2-4-13(17)14(9)20/h2-7,19-20H,8H2,1H3,(H,18,21)
InChIKeyJCDLSMZUDMNENO-UHFFFAOYSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574
2-[(3-chloro-4-nitroanilino)methyl]-6-fluorophenol
CID 115951767
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
CID 60934816
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
CID 112553733
N-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]phenyl]propanamide
CID 115951328
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide (CID 115951601) is 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cc(NCc2cccc(F)c2O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide?
The InChIKey is JCDLSMZUDMNENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-18-15(21)11-7-10(5-6-12(11)16)19-8-9-3-2-4-13(17)14(9)20/h2-7,19-20H,8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide?
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 115951601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).