N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide

C14H12F2N2O2 — CID 130403712

IUPACN-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
SMILESNCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C14H12F2N2O2/c15-9-2-3-10(12(16)6-9)8-1-4-13(19)11(5-8)14(20)18-7-17/h1-6,19H,7,17H2,(H,18,20)
InChIKeyODBKJJXBWBARCR-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.98
Rot. Bonds3

About N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide

N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide (PubChem CID 130403712) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
PubChem CID130403712
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
SMILESNCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C14H12F2N2O2/c15-9-2-3-10(12(16)6-9)8-1-4-13(19)11(5-8)14(20)18-7-17/h1-6,19H,7,17H2,(H,18,20)
InChIKeyODBKJJXBWBARCR-UHFFFAOYSA-N
XLogP1.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The IUPAC name of N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide (CID 130403712) is N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The canonical SMILES for N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide is NCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The InChIKey is ODBKJJXBWBARCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-9-2-3-10(12(16)6-9)8-1-4-13(19)11(5-8)14(20)18-7-17/h1-6,19H,7,17H2,(H,18,20).
What are the key properties of N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide has a molecular weight of 278.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 130403712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).