N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide

C15H20F2N2O — CID 63142496

IUPACN-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(F)c(F)c2)CCNC1
InChIInChI=1S/C15H20F2N2O/c1-2-5-15(6-7-18-10-15)14(20)19-9-11-3-4-12(16)13(17)8-11/h3-4,8,18H,2,5-7,9-10H2,1H3,(H,19,20)
InChIKeySOSAMEHANDQMFV-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.36
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63142496) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63142496
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(F)c(F)c2)CCNC1
InChIInChI=1S/C15H20F2N2O/c1-2-5-15(6-7-18-10-15)14(20)19-9-11-3-4-12(16)13(17)8-11/h3-4,8,18H,2,5-7,9-10H2,1H3,(H,19,20)
InChIKeySOSAMEHANDQMFV-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 63142496) is N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2ccc(F)c(F)c2)CCNC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SOSAMEHANDQMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-5-15(6-7-18-10-15)14(20)19-9-11-3-4-12(16)13(17)8-11/h3-4,8,18H,2,5-7,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).