N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide

C16H22F2N2O — CID 63139722

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccc(F)cc2F)CCNC1
InChIInChI=1S/C16H22F2N2O/c1-3-6-16(7-8-19-10-16)15(21)20-11(2)13-5-4-12(17)9-14(13)18/h4-5,9,11,19H,3,6-8,10H2,1-2H3,(H,20,21)
InChIKeyJFFHOPLNYDQAHN-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139722) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63139722
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ccc(F)cc2F)CCNC1
InChIInChI=1S/C16H22F2N2O/c1-3-6-16(7-8-19-10-16)15(21)20-11(2)13-5-4-12(17)9-14(13)18/h4-5,9,11,19H,3,6-8,10H2,1-2H3,(H,20,21)
InChIKeyJFFHOPLNYDQAHN-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81352065
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide (CID 63139722) is N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC(C)c2ccc(F)cc2F)CCNC1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is JFFHOPLNYDQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-6-16(7-8-19-10-16)15(21)20-11(2)13-5-4-12(17)9-14(13)18/h4-5,9,11,19H,3,6-8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).