N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

C19H20F2N2O2 — CID 59156534

IUPACN-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CC1CCCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O2/c20-13-7-4-8-14(21)17(13)19(25)23-15-9-10-22-18(15)16(24)11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11H2,(H,23,25)
InChIKeyRIMPSRJYSFGJHR-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.57
Rot. Bonds5

About N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (PubChem CID 59156534) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
PubChem CID59156534
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CC1CCCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O2/c20-13-7-4-8-14(21)17(13)19(25)23-15-9-10-22-18(15)16(24)11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11H2,(H,23,25)
InChIKeyRIMPSRJYSFGJHR-UHFFFAOYSA-N
XLogP3.57
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]propanoyl]-2H-pyrrol-4-yl]benzamide
CID 58094701
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
CID 114457210
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 115794245
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (CID 59156534) is N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is O=C(CC1CCCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The InChIKey is RIMPSRJYSFGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-13-7-4-8-14(21)17(13)19(25)23-15-9-10-22-18(15)16(24)11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11H2,(H,23,25).
What are the key properties of N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide has a molecular weight of 346.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 59156534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).