3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide

C16H17FN2O — CID 43507646

IUPAC3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
SMILESCNC(C)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-11(18-2)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(17)10-13/h3-11,18H,1-2H3,(H,19,20)
InChIKeyOOFOBLSUYMENNC-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.36
Rot. Bonds4

About 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide

3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide (PubChem CID 43507646) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
PubChem CID43507646
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
SMILESCNC(C)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-11(18-2)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(17)10-13/h3-11,18H,1-2H3,(H,19,20)
InChIKeyOOFOBLSUYMENNC-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
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3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
CID 91473317

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide (CID 43507646) is 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide is CNC(C)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide?
The InChIKey is OOFOBLSUYMENNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(18-2)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(17)10-13/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide?
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 43507646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).