4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide

C20H21FN4O3 — CID 47050568

IUPAC4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)NC(CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C20H21FN4O3/c21-15-9-8-14(19(22)27)11-16(15)23-20(28)24-17(13-5-2-1-3-6-13)12-25-10-4-7-18(25)26/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H2,22,27)(H2,23,24,28)
InChIKeyMYUQNGQXDBJHMI-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.41
Rot. Bonds6

About 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide

4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide (PubChem CID 47050568) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide
PubChem CID47050568
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)NC(CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C20H21FN4O3/c21-15-9-8-14(19(22)27)11-16(15)23-20(28)24-17(13-5-2-1-3-6-13)12-25-10-4-7-18(25)26/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H2,22,27)(H2,23,24,28)
InChIKeyMYUQNGQXDBJHMI-UHFFFAOYSA-N
XLogP2.41
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 51952955
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 94101832
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255
methyl 5-chloro-2-methoxy-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzoate
CID 47040497
1-(4-fluoro-3-methylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86888512
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 56519590
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide?
The IUPAC name of 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide (CID 47050568) is 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide is NC(=O)c1ccc(F)c(NC(=O)NC(CN2CCCC2=O)c2ccccc2)c1.
What is the InChIKey of 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide?
The InChIKey is MYUQNGQXDBJHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-15-9-8-14(19(22)27)11-16(15)23-20(28)24-17(13-5-2-1-3-6-13)12-25-10-4-7-18(25)26/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H2,22,27)(H2,23,24,28).
What are the key properties of 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide?
4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide has a molecular weight of 384.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoylamino]benzamide is sourced from PubChem (CID 47050568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).