N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

C21H18Cl2FN3O2 — CID 119040123

IUPACN-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1cc(C(=O)N2CCCC2C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc21
InChIInChI=1S/C21H18Cl2FN3O2/c1-26-11-15(14-10-13(24)5-7-18(14)26)21(29)27-8-2-3-19(27)20(28)25-17-6-4-12(22)9-16(17)23/h4-7,9-11,19H,2-3,8H2,1H3,(H,25,28)
InChIKeyQEZMINVRJCRUCB-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.87
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 119040123) has the molecular formula C21H18Cl2FN3O2 and a molecular weight of 434.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID119040123
Molecular FormulaC21H18Cl2FN3O2
Molecular Weight434.30 g/mol
Exact Mass433.08
IUPAC NameN-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1cc(C(=O)N2CCCC2C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc21
InChIInChI=1S/C21H18Cl2FN3O2/c1-26-11-15(14-10-13(24)5-7-18(14)26)21(29)27-8-2-3-19(27)20(28)25-17-6-4-12(22)9-16(17)23/h4-7,9-11,19H,2-3,8H2,1H3,(H,25,28)
InChIKeyQEZMINVRJCRUCB-UHFFFAOYSA-N
XLogP4.87
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
1-N-(2,4-dichlorophenyl)-2-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4566008
N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 47045151
(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 35369256
N-(2-bromo-4-fluorophenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112835545
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
N-(2,4-dichlorophenyl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]piperidine-2-carboxamide
CID 167899691
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 78896653
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide (CID 119040123) is N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide is Cn1cc(C(=O)N2CCCC2C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc21.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is QEZMINVRJCRUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O2/c1-26-11-15(14-10-13(24)5-7-18(14)26)21(29)27-8-2-3-19(27)20(28)25-17-6-4-12(22)9-16(17)23/h4-7,9-11,19H,2-3,8H2,1H3,(H,25,28).
What are the key properties of N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119040123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).