N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide

C19H18F2N2O2 — CID 71839042

IUPACN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
SMILESCc1ccc(N2CCC(NC(=O)c3cc(F)cc(F)c3)C2=O)cc1C
InChIInChI=1S/C19H18F2N2O2/c1-11-3-4-16(7-12(11)2)23-6-5-17(19(23)25)22-18(24)13-8-14(20)10-15(21)9-13/h3-4,7-10,17H,5-6H2,1-2H3,(H,22,24)
InChIKeyTZXUWFJVKCVHRH-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide

N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide (PubChem CID 71839042) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
PubChem CID71839042
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
SMILESCc1ccc(N2CCC(NC(=O)c3cc(F)cc(F)c3)C2=O)cc1C
InChIInChI=1S/C19H18F2N2O2/c1-11-3-4-16(7-12(11)2)23-6-5-17(19(23)25)22-18(24)13-8-14(20)10-15(21)9-13/h3-4,7-10,17H,5-6H2,1-2H3,(H,22,24)
InChIKeyTZXUWFJVKCVHRH-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71839041
1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide (CID 71839042) is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide is Cc1ccc(N2CCC(NC(=O)c3cc(F)cc(F)c3)C2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide?
The InChIKey is TZXUWFJVKCVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11-3-4-16(7-12(11)2)23-6-5-17(19(23)25)22-18(24)13-8-14(20)10-15(21)9-13/h3-4,7-10,17H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide?
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide has a molecular weight of 344.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 71839042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).