3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide

C19H26ClFN2O — CID 169215368

IUPAC3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide
SMILESCC1(NC(=O)c2cc(F)cc(Cl)c2)CC(NCCC2CCCC2)C1
InChIInChI=1S/C19H26ClFN2O/c1-19(23-18(24)14-8-15(20)10-16(21)9-14)11-17(12-19)22-7-6-13-4-2-3-5-13/h8-10,13,17,22H,2-7,11-12H2,1H3,(H,23,24)
InChIKeyLHDKDEBRGBXVRB-UHFFFAOYSA-N
MW352.88 g/mol
LogP4.30
Rot. Bonds6

About 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide

3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide (PubChem CID 169215368) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide
PubChem CID169215368
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide
SMILESCC1(NC(=O)c2cc(F)cc(Cl)c2)CC(NCCC2CCCC2)C1
InChIInChI=1S/C19H26ClFN2O/c1-19(23-18(24)14-8-15(20)10-16(21)9-14)11-17(12-19)22-7-6-13-4-2-3-5-13/h8-10,13,17,22H,2-7,11-12H2,1H3,(H,23,24)
InChIKeyLHDKDEBRGBXVRB-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]cyclobutyl]-5-fluorobenzamide
CID 169215481
3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
CID 169215470
1-chloro-3-fluorobenzene;1-[4-(2-cyclohexylethylamino)piperidin-1-yl]ethanone
CID 153338437
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
CID 175943327
3-chloro-N-[[4-[[2-(2,2-dimethylpyrrolidin-1-yl)-2-oxoethyl]amino]cyclohexyl]methyl]-5-fluorobenzamide
CID 44539915
3-chloro-N-[(1S,3S)-3-[(2-cyclohexyl-2-fluoroethyl)amino]cyclopentyl]-5-fluorobenzamide
CID 169215348
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
CID 115306479
3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 146616862
3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
CID 169215317
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide?
The IUPAC name of 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide (CID 169215368) is 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide is CC1(NC(=O)c2cc(F)cc(Cl)c2)CC(NCCC2CCCC2)C1.
What is the InChIKey of 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide?
The InChIKey is LHDKDEBRGBXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O/c1-19(23-18(24)14-8-15(20)10-16(21)9-14)11-17(12-19)22-7-6-13-4-2-3-5-13/h8-10,13,17,22H,2-7,11-12H2,1H3,(H,23,24).
What are the key properties of 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide?
3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide has a molecular weight of 352.88 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide is sourced from PubChem (CID 169215368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).