2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide

C19H16ClFN2O — CID 56725306

IUPAC2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)cccc1Cl)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H16ClFN2O/c1-13(22-19(24)18-16(20)5-4-6-17(18)21)14-7-9-15(10-8-14)23-11-2-3-12-23/h2-13H,1H3,(H,22,24)
InChIKeyXDODGAOZTCNKGM-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.76
Rot. Bonds4

About 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide

2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide (PubChem CID 56725306) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
PubChem CID56725306
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)cccc1Cl)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H16ClFN2O/c1-13(22-19(24)18-16(20)5-4-6-17(18)21)14-7-9-15(10-8-14)23-11-2-3-12-23/h2-13H,1H3,(H,22,24)
InChIKeyXDODGAOZTCNKGM-UHFFFAOYSA-N
XLogP4.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19263417
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 45153639
2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716588
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide (CID 56725306) is 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1c(F)cccc1Cl)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
The InChIKey is XDODGAOZTCNKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c1-13(22-19(24)18-16(20)5-4-6-17(18)21)14-7-9-15(10-8-14)23-11-2-3-12-23/h2-13H,1H3,(H,22,24).
What are the key properties of 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide has a molecular weight of 342.80 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 56725306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).