3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide

C18H15FN2O — CID 4919610

IUPAC3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)21-10-1-2-11-21/h1-12H,13H2,(H,20,22)
InChIKeyOOHSUFBHBINJPJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.55
Rot. Bonds4

About 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide

3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide (PubChem CID 4919610) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
PubChem CID4919610
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)21-10-1-2-11-21/h1-12H,13H2,(H,20,22)
InChIKeyOOHSUFBHBINJPJ-UHFFFAOYSA-N
XLogP3.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-fluoro-N-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]benzamide
CID 123879577
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide (CID 4919610) is 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
The InChIKey is OOHSUFBHBINJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-16-5-3-4-15(12-16)18(22)20-13-14-6-8-17(9-7-14)21-10-1-2-11-21/h1-12H,13H2,(H,20,22).
What are the key properties of 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 4919610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).