N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide

C20H15ClF6N2O2 — CID 88988726

IUPACN-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1ccc(N2CC(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1Cl
InChIInChI=1S/C20H15ClF6N2O2/c1-10-2-3-15(8-16(10)21)29-9-14(7-17(29)30)28-18(31)11-4-12(19(22,23)24)6-13(5-11)20(25,26)27/h2-6,8,14H,7,9H2,1H3,(H,28,31)
InChIKeyQFUKFVPKHFXKSM-UHFFFAOYSA-N
MW464.79 g/mol
LogP5.22
Rot. Bonds3

About N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide

N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 88988726) has the molecular formula C20H15ClF6N2O2 and a molecular weight of 464.79 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID88988726
Molecular FormulaC20H15ClF6N2O2
Molecular Weight464.79 g/mol
Exact Mass464.07
IUPAC NameN-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1ccc(N2CC(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1Cl
InChIInChI=1S/C20H15ClF6N2O2/c1-10-2-3-15(8-16(10)21)29-9-14(7-17(29)30)28-18(31)11-4-12(19(22,23)24)6-13(5-11)20(25,26)27/h2-6,8,14H,7,9H2,1H3,(H,28,31)
InChIKeyQFUKFVPKHFXKSM-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.79
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822152
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43969606
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822243
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide (CID 88988726) is N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide is Cc1ccc(N2CC(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is QFUKFVPKHFXKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF6N2O2/c1-10-2-3-15(8-16(10)21)29-9-14(7-17(29)30)28-18(31)11-4-12(19(22,23)24)6-13(5-11)20(25,26)27/h2-6,8,14H,7,9H2,1H3,(H,28,31).
What are the key properties of N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 464.79 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 88988726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).