N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide

C14H16F2N2O — CID 62661461

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O/c15-12-3-1-2-11(13(12)16)14(19)17-9-6-7-18(8-9)10-4-5-10/h1-3,9-10H,4-8H2,(H,17,19)
InChIKeyXXYCJDNHZAMBBZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.93
Rot. Bonds3

About N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide

N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide (PubChem CID 62661461) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
PubChem CID62661461
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O/c15-12-3-1-2-11(13(12)16)14(19)17-9-6-7-18(8-9)10-4-5-10/h1-3,9-10H,4-8H2,(H,17,19)
InChIKeyXXYCJDNHZAMBBZ-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
CID 95635039
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014
N-(1-cyclopentylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide
CID 110474904
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63625025

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide (CID 62661461) is N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide is O=C(NC1CCN(C2CC2)C1)c1cccc(F)c1F.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide?
The InChIKey is XXYCJDNHZAMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-12-3-1-2-11(13(12)16)14(19)17-9-6-7-18(8-9)10-4-5-10/h1-3,9-10H,4-8H2,(H,17,19).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide?
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide has a molecular weight of 266.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 62661461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).