4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide

C14H18F2N2O2 — CID 103977231

IUPAC4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)F)cc1)C1CCNC1
InChIInChI=1S/C14H18F2N2O2/c1-9(11-6-7-17-8-11)18-13(19)10-2-4-12(5-3-10)20-14(15)16/h2-5,9,11,14,17H,6-8H2,1H3,(H,18,19)
InChIKeyUPKMRLSCRSVSPM-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.02
Rot. Bonds5

About 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide

4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide (PubChem CID 103977231) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
PubChem CID103977231
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)F)cc1)C1CCNC1
InChIInChI=1S/C14H18F2N2O2/c1-9(11-6-7-17-8-11)18-13(19)10-2-4-12(5-3-10)20-14(15)16/h2-5,9,11,14,17H,6-8H2,1H3,(H,18,19)
InChIKeyUPKMRLSCRSVSPM-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-(1-piperidin-4-ylethyl)naphthalene-2-carboxamide
CID 43523229
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone
CID 67557072
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide (CID 103977231) is 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(OC(F)F)cc1)C1CCNC1.
What is the InChIKey of 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is UPKMRLSCRSVSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9(11-6-7-17-8-11)18-13(19)10-2-4-12(5-3-10)20-14(15)16/h2-5,9,11,14,17H,6-8H2,1H3,(H,18,19).
What are the key properties of 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 103977231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).