N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

C20H15ClFN3O2S — CID 60581699

IUPACN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H15ClFN3O2S/c21-15-10-13(5-8-16(15)22)17-11-28-20(23-17)24-19(27)12-3-6-14(7-4-12)25-9-1-2-18(25)26/h3-8,10-11H,1-2,9H2,(H,23,24,27)
InChIKeyYKGUKLOYPPNVKJ-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.98
Rot. Bonds4

About N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 60581699) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID60581699
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H15ClFN3O2S/c21-15-10-13(5-8-16(15)22)17-11-28-20(23-17)24-19(27)12-3-6-14(7-4-12)25-9-1-2-18(25)26/h3-8,10-11H,1-2,9H2,(H,23,24,27)
InChIKeyYKGUKLOYPPNVKJ-UHFFFAOYSA-N
XLogP4.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43036524
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75469990
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 60581734
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55381218
3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 36537470
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 60581837
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 9420097

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 60581699) is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is YKGUKLOYPPNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c21-15-10-13(5-8-16(15)22)17-11-28-20(23-17)24-19(27)12-3-6-14(7-4-12)25-9-1-2-18(25)26/h3-8,10-11H,1-2,9H2,(H,23,24,27).
What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 415.88 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 60581699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).