N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide

C21H17Cl2N3O2S — CID 47045151

IUPACN-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN1C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C21H17Cl2N3O2S/c22-14-8-9-16(15(23)11-14)25-19(27)17-7-4-10-26(17)21(28)18-12-24-20(29-18)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,25,27)
InChIKeyFHAJBVVUBFBHHZ-UHFFFAOYSA-N
MW446.36 g/mol
LogP5.36
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 47045151) has the molecular formula C21H17Cl2N3O2S and a molecular weight of 446.36 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID47045151
Molecular FormulaC21H17Cl2N3O2S
Molecular Weight446.36 g/mol
Exact Mass445.04
IUPAC NameN-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN1C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C21H17Cl2N3O2S/c22-14-8-9-16(15(23)11-14)25-19(27)17-7-4-10-26(17)21(28)18-12-24-20(29-18)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,25,27)
InChIKeyFHAJBVVUBFBHHZ-UHFFFAOYSA-N
XLogP5.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.36
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 42757512
1-N-(2,4-dichlorophenyl)-2-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4566008
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
CID 119040123
(2S)-1-(4-phenylbenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 93099947
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 47045151) is N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCN1C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is FHAJBVVUBFBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2S/c22-14-8-9-16(15(23)11-14)25-19(27)17-7-4-10-26(17)21(28)18-12-24-20(29-18)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,25,27).
What are the key properties of N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 446.36 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47045151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).