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

C19H17FN2O — CID 16591996

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)cc1-n1cccc1
InChIInChI=1S/C19H17FN2O/c1-14-4-7-16(12-18(14)22-10-2-3-11-22)19(23)21-13-15-5-8-17(20)9-6-15/h2-12H,13H2,1H3,(H,21,23)
InChIKeyOCHAEJKKQUVGBY-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.85
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 16591996) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID16591996
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)cc1-n1cccc1
InChIInChI=1S/C19H17FN2O/c1-14-4-7-16(12-18(14)22-10-2-3-11-22)19(23)21-13-15-5-8-17(20)9-6-15/h2-12H,13H2,1H3,(H,21,23)
InChIKeyOCHAEJKKQUVGBY-UHFFFAOYSA-N
XLogP3.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597417
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
3-fluoro-N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111231617
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide (CID 16591996) is N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1-n1cccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is OCHAEJKKQUVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-14-4-7-16(12-18(14)22-10-2-3-11-22)19(23)21-13-15-5-8-17(20)9-6-15/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 308.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 16591996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).