N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C20H20F2N4O3 — CID 86940012

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C20H20F2N4O3/c21-14-5-3-13(4-6-14)11-23-20(29)24-12-18(27)25-15-7-8-17(16(22)10-15)26-9-1-2-19(26)28/h3-8,10H,1-2,9,11-12H2,(H,25,27)(H2,23,24,29)
InChIKeyZUWJTBDYJAKDFX-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.53
Rot. Bonds6

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 86940012) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID86940012
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C20H20F2N4O3/c21-14-5-3-13(4-6-14)11-23-20(29)24-12-18(27)25-15-7-8-17(16(22)10-15)26-9-1-2-19(26)28/h3-8,10H,1-2,9,11-12H2,(H,25,27)(H2,23,24,29)
InChIKeyZUWJTBDYJAKDFX-UHFFFAOYSA-N
XLogP2.53
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38203655
2-(benzylcarbamoylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylbutanamide
CID 86940023
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 86939681
N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46540627
4-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122080097
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 86939589
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 37219418
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24635076

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 86940012) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(N2CCCC2=O)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is ZUWJTBDYJAKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c21-14-5-3-13(4-6-14)11-23-20(29)24-12-18(27)25-15-7-8-17(16(22)10-15)26-9-1-2-19(26)28/h3-8,10H,1-2,9,11-12H2,(H,25,27)(H2,23,24,29).
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 402.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 86940012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).