2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

C18H17FN4O3 — CID 126456615

IUPAC2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H17FN4O3/c19-11-4-3-5-13(8-11)23-10-12(9-16(23)24)21-18(26)22-15-7-2-1-6-14(15)17(20)25/h1-8,12H,9-10H2,(H2,20,25)(H2,21,22,26)
InChIKeyYINOVDPCMHNUCD-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.85
Rot. Bonds4

About 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (PubChem CID 126456615) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
PubChem CID126456615
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H17FN4O3/c19-11-4-3-5-13(8-11)23-10-12(9-16(23)24)21-18(26)22-15-7-2-1-6-14(15)17(20)25/h1-8,12H,9-10H2,(H2,20,25)(H2,21,22,26)
InChIKeyYINOVDPCMHNUCD-UHFFFAOYSA-N
XLogP1.85
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215092
1-(2,4-difluorophenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970198
1-(2,5-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547407
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 7215573
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371
1-(2,6-dimethylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547436
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
1-(4-bromo-2-methylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215623
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547401
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 7215628

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The IUPAC name of 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (CID 126456615) is 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The canonical SMILES for 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is NC(=O)c1ccccc1NC(=O)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The InChIKey is YINOVDPCMHNUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-11-4-3-5-13(8-11)23-10-12(9-16(23)24)21-18(26)22-15-7-2-1-6-14(15)17(20)25/h1-8,12H,9-10H2,(H2,20,25)(H2,21,22,26).
What are the key properties of 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide has a molecular weight of 356.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 126456615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).