4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide

C17H19FN2O2 — CID 111601526

IUPAC4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2/c18-16-5-2-1-4-14(16)12-20-15-8-6-13(7-9-15)17(22)19-10-3-11-21/h1-2,4-9,20-21H,3,10-12H2,(H,19,22)
InChIKeyAHOZWYPNKIAUNM-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.55
Rot. Bonds7

About 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide

4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide (PubChem CID 111601526) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
PubChem CID111601526
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2/c18-16-5-2-1-4-14(16)12-20-15-8-6-13(7-9-15)17(22)19-10-3-11-21/h1-2,4-9,20-21H,3,10-12H2,(H,19,22)
InChIKeyAHOZWYPNKIAUNM-UHFFFAOYSA-N
XLogP2.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
3-[[4-[(2-hydroxyphenyl)methylamino]benzoyl]amino]propanoic acid
CID 22944663
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 51121696
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide (CID 111601526) is 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide is O=C(NCCCO)c1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide?
The InChIKey is AHOZWYPNKIAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-16-5-2-1-4-14(16)12-20-15-8-6-13(7-9-15)17(22)19-10-3-11-21/h1-2,4-9,20-21H,3,10-12H2,(H,19,22).
What are the key properties of 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide?
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 111601526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).