N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide

C14H16F2N2O — CID 47938545

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O/c15-12-4-1-9(7-13(12)16)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8H2,(H,17,19)
InChIKeyIAELBQPZAYFNNL-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.93
Rot. Bonds3

About N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide

N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide (PubChem CID 47938545) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
PubChem CID47938545
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O/c15-12-4-1-9(7-13(12)16)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8H2,(H,17,19)
InChIKeyIAELBQPZAYFNNL-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

Analyze N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 94796962
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
CID 94796573
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
3-[3-[(4-fluoro-3-methylbenzoyl)amino]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 77441765
N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide
CID 154870884

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide (CID 47938545) is N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide is O=C(NC1CCN(C2CC2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide?
The InChIKey is IAELBQPZAYFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-12-4-1-9(7-13(12)16)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8H2,(H,17,19).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide?
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-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)-3,4-difluorobenzamide is sourced from PubChem (CID 47938545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).