(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

C18H13Cl2F3N2O2 — CID 51937320

IUPAC(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H13Cl2F3N2O2/c19-9-3-4-11(20)10(8-9)18(27)25-7-1-2-14(25)17(26)24-13-6-5-12(21)15(22)16(13)23/h3-6,8,14H,1-2,7H2,(H,24,26)/t14-/m1/s1
InChIKeyUPFWXIKEPYQOMS-CQSZACIVSA-N
MW417.21 g/mol
LogP4.65
Rot. Bonds3

About (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 51937320) has the molecular formula C18H13Cl2F3N2O2 and a molecular weight of 417.21 g/mol. Its IUPAC name is (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID51937320
Molecular FormulaC18H13Cl2F3N2O2
Molecular Weight417.21 g/mol
Exact Mass416.03
IUPAC Name(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H13Cl2F3N2O2/c19-9-3-4-11(20)10(8-9)18(27)25-7-1-2-14(25)17(26)24-13-6-5-12(21)15(22)16(13)23/h3-6,8,14H,1-2,7H2,(H,24,26)/t14-/m1/s1
InChIKeyUPFWXIKEPYQOMS-CQSZACIVSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317
1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 55780335
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
CID 119040123
tert-butyl (2R)-2-[(2,3,4-trifluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 94920536
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119424492
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide (CID 51937320) is (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is UPFWXIKEPYQOMS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O2/c19-9-3-4-11(20)10(8-9)18(27)25-7-1-2-14(25)17(26)24-13-6-5-12(21)15(22)16(13)23/h3-6,8,14H,1-2,7H2,(H,24,26)/t14-/m1/s1.
What are the key properties of (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 417.21 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51937320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).