N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide

C19H17FN2O2 — CID 110793434

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1F
InChIInChI=1S/C19H17FN2O2/c1-24-18-9-4-14(12-17(18)20)13-21-19(23)15-5-7-16(8-6-15)22-10-2-3-11-22/h2-12H,13H2,1H3,(H,21,23)
InChIKeyNOKLDMWPRGRDNK-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.56
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110793434) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
PubChem CID110793434
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1F
InChIInChI=1S/C19H17FN2O2/c1-24-18-9-4-14(12-17(18)20)13-21-19(23)15-5-7-16(8-6-15)22-10-2-3-11-22/h2-12H,13H2,1H3,(H,21,23)
InChIKeyNOKLDMWPRGRDNK-UHFFFAOYSA-N
XLogP3.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185
2-(3,4-dimethoxyphenyl)-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300696
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide (CID 110793434) is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide is COc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is NOKLDMWPRGRDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-24-18-9-4-14(12-17(18)20)13-21-19(23)15-5-7-16(8-6-15)22-10-2-3-11-22/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 324.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110793434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).