N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide

C18H19FN2O — CID 19062870

IUPACN-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H19FN2O/c19-16-4-3-5-17(12-16)20-18(22)15-8-6-14(7-9-15)13-21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyQOHBBKUYTNTYGF-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.67
Rot. Bonds4

About N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide

N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 19062870) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID19062870
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H19FN2O/c19-16-4-3-5-17(12-16)20-18(22)15-8-6-14(7-9-15)13-21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyQOHBBKUYTNTYGF-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95138127
N-(3,4-difluorophenyl)-4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 44529982
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
N-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950969
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide (CID 19062870) is N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is QOHBBKUYTNTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-4-3-5-17(12-16)20-18(22)15-8-6-14(7-9-15)13-21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 19062870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).