N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide

C14H17F3N2O2 — CID 83063094

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCCN1
InChIInChI=1S/C14H17F3N2O2/c1-2-14(6-3-7-18-14)12(20)19-9-4-5-11(10(15)8-9)21-13(16)17/h4-5,8,13,18H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyQSNQNVXZPHGBTP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.90
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83063094) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83063094
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCCN1
InChIInChI=1S/C14H17F3N2O2/c1-2-14(6-3-7-18-14)12(20)19-9-4-5-11(10(15)8-9)21-13(16)17/h4-5,8,13,18H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyQSNQNVXZPHGBTP-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83064202
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 126793937

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide (CID 83063094) is N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCCN1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is QSNQNVXZPHGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-14(6-3-7-18-14)12(20)19-9-4-5-11(10(15)8-9)21-13(16)17/h4-5,8,13,18H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83063094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).