N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C17H14BrF3N2O3 — CID 24658893

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C17H14BrF3N2O3/c18-12-6-5-10(9-11(12)17(19,20)21)22-15(24)13-3-1-7-23(13)16(25)14-4-2-8-26-14/h2,4-6,8-9,13H,1,3,7H2,(H,22,24)
InChIKeyIWMYFXOLDKEQLX-UHFFFAOYSA-N
MW431.21 g/mol
LogP4.30
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 24658893) has the molecular formula C17H14BrF3N2O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID24658893
Molecular FormulaC17H14BrF3N2O3
Molecular Weight431.21 g/mol
Exact Mass430.01
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C17H14BrF3N2O3/c18-12-6-5-10(9-11(12)17(19,20)21)22-15(24)13-3-1-7-23(13)16(25)14-4-2-8-26-14/h2,4-6,8-9,13H,1,3,7H2,(H,22,24)
InChIKeyIWMYFXOLDKEQLX-UHFFFAOYSA-N
XLogP4.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
CID 55979205
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 120605153
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 24658893) is N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IWMYFXOLDKEQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O3/c18-12-6-5-10(9-11(12)17(19,20)21)22-15(24)13-3-1-7-23(13)16(25)14-4-2-8-26-14/h2,4-6,8-9,13H,1,3,7H2,(H,22,24).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 431.21 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24658893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).