N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

C19H16BrF3N2O2 — CID 42950684

IUPACN-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16BrF3N2O2/c20-14-6-8-15(9-7-14)24-17(26)16-5-2-10-25(16)18(27)12-3-1-4-13(11-12)19(21,22)23/h1,3-4,6-9,11,16H,2,5,10H2,(H,24,26)
InChIKeyMNDQXSNPVCTNTR-UHFFFAOYSA-N
MW441.25 g/mol
LogP4.71
Rot. Bonds3

About N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 42950684) has the molecular formula C19H16BrF3N2O2 and a molecular weight of 441.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID42950684
Molecular FormulaC19H16BrF3N2O2
Molecular Weight441.25 g/mol
Exact Mass440.03
IUPAC NameN-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16BrF3N2O2/c20-14-6-8-15(9-7-14)24-17(26)16-5-2-10-25(16)18(27)12-3-1-4-13(11-12)19(21,22)23/h1,3-4,6-9,11,16H,2,5,10H2,(H,24,26)
InChIKeyMNDQXSNPVCTNTR-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 60612291
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 167748566
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide (CID 42950684) is N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is MNDQXSNPVCTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N2O2/c20-14-6-8-15(9-7-14)24-17(26)16-5-2-10-25(16)18(27)12-3-1-4-13(11-12)19(21,22)23/h1,3-4,6-9,11,16H,2,5,10H2,(H,24,26).
What are the key properties of N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 441.25 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42950684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).