N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide

C18H24F2N2O — CID 52860014

IUPACN-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
SMILESO=C(N[C@H]1CCN(C2CCCCCC2)C1)c1cc(F)ccc1F
InChIInChI=1S/C18H24F2N2O/c19-13-7-8-17(20)16(11-13)18(23)21-14-9-10-22(12-14)15-5-3-1-2-4-6-15/h7-8,11,14-15H,1-6,9-10,12H2,(H,21,23)/t14-/m0/s1
InChIKeyFKCBHFKWZVAHJQ-AWEZNQCLSA-N
MW322.40 g/mol
LogP3.49
Rot. Bonds3

About N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide

N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide (PubChem CID 52860014) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
PubChem CID52860014
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
SMILESO=C(N[C@H]1CCN(C2CCCCCC2)C1)c1cc(F)ccc1F
InChIInChI=1S/C18H24F2N2O/c19-13-7-8-17(20)16(11-13)18(23)21-14-9-10-22(12-14)15-5-3-1-2-4-6-15/h7-8,11,14-15H,1-6,9-10,12H2,(H,21,23)/t14-/m0/s1
InChIKeyFKCBHFKWZVAHJQ-AWEZNQCLSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
CID 12898848
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
N-(1-cyclopentylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide
CID 110474904
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-bromo-5-fluorobenzamide
CID 112729017
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167940374
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide (CID 52860014) is N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide is O=C(N[C@H]1CCN(C2CCCCCC2)C1)c1cc(F)ccc1F.
What is the InChIKey of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide?
The InChIKey is FKCBHFKWZVAHJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24F2N2O/c19-13-7-8-17(20)16(11-13)18(23)21-14-9-10-22(12-14)15-5-3-1-2-4-6-15/h7-8,11,14-15H,1-6,9-10,12H2,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide?
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide has a molecular weight of 322.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 52860014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).