N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide

C14H18F2N2O — CID 55166503

IUPACN-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(F)cc2F)CCNC1
InChIInChI=1S/C14H18F2N2O/c1-2-14(5-6-17-9-14)13(19)18-8-10-3-4-11(15)7-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeySLFHGDSPCRTYRC-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.97
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 55166503) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID55166503
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(F)cc2F)CCNC1
InChIInChI=1S/C14H18F2N2O/c1-2-14(5-6-17-9-14)13(19)18-8-10-3-4-11(15)7-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeySLFHGDSPCRTYRC-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
N-[(2,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128461
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide (CID 55166503) is N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NCc2ccc(F)cc2F)CCNC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is SLFHGDSPCRTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-14(5-6-17-9-14)13(19)18-8-10-3-4-11(15)7-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55166503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).