2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide

C14H12ClFN2O2 — CID 115951437

IUPAC2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2cccc(F)c2O)cc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-11-6-9(4-5-10(11)14(17)20)18-7-8-2-1-3-12(16)13(8)19/h1-6,18-19H,7H2,(H2,17,20)
InChIKeyNXJZQWBZXZLAAT-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide

2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide (PubChem CID 115951437) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
PubChem CID115951437
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2cccc(F)c2O)cc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-11-6-9(4-5-10(11)14(17)20)18-7-8-2-1-3-12(16)13(8)19/h1-6,18-19H,7H2,(H2,17,20)
InChIKeyNXJZQWBZXZLAAT-UHFFFAOYSA-N
XLogP2.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.90
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-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
2-[(3-chloro-4-nitroanilino)methyl]-6-fluorophenol
CID 115951767
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574
2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
CID 80650015
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide (CID 115951437) is 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide is NC(=O)c1ccc(NCc2cccc(F)c2O)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
The InChIKey is NXJZQWBZXZLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-11-6-9(4-5-10(11)14(17)20)18-7-8-2-1-3-12(16)13(8)19/h1-6,18-19H,7H2,(H2,17,20).
What are the key properties of 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide?
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide has a molecular weight of 294.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 115951437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).