4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide

C16H17FN2O2 — CID 43742171

IUPAC4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O2/c17-15-4-2-1-3-13(15)11-19-14-7-5-12(6-8-14)16(21)18-9-10-20/h1-8,19-20H,9-11H2,(H,18,21)
InChIKeyMTUUSYJDKRWMFA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.16
Rot. Bonds6

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

4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 43742171) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID43742171
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O2/c17-15-4-2-1-3-13(15)11-19-14-7-5-12(6-8-14)16(21)18-9-10-20/h1-8,19-20H,9-11H2,(H,18,21)
InChIKeyMTUUSYJDKRWMFA-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
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
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
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
N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 47064163
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 43742171) is 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is MTUUSYJDKRWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-15-4-2-1-3-13(15)11-19-14-7-5-12(6-8-14)16(21)18-9-10-20/h1-8,19-20H,9-11H2,(H,18,21).
What are the key properties of 4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide?
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 288.32 g/mol, XLogP of 2.16, 6 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-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43742171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).