N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide

C12H14FN3O2 — CID 106189109

IUPACN-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide
SMILESO=C1CC(NCC(=O)Nc2ccc(F)cc2)CN1
InChIInChI=1S/C12H14FN3O2/c13-8-1-3-9(4-2-8)16-12(18)7-14-10-5-11(17)15-6-10/h1-4,10,14H,5-7H2,(H,15,17)(H,16,18)
InChIKeyTVVLKUQSKYUMOG-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.24
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide

N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide (PubChem CID 106189109) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide
PubChem CID106189109
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide
SMILESO=C1CC(NCC(=O)Nc2ccc(F)cc2)CN1
InChIInChI=1S/C12H14FN3O2/c13-8-1-3-9(4-2-8)16-12(18)7-14-10-5-11(17)15-6-10/h1-4,10,14H,5-7H2,(H,15,17)(H,16,18)
InChIKeyTVVLKUQSKYUMOG-UHFFFAOYSA-N
XLogP0.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 9265208
2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide
CID 106189314
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 75523060
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
2-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60647058
2-(cyclopentyloxyamino)-N-(4-fluorophenyl)acetamide
CID 83228602
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-(4-acetamidophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62898113

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide (CID 106189109) is N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide is O=C1CC(NCC(=O)Nc2ccc(F)cc2)CN1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide?
The InChIKey is TVVLKUQSKYUMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-8-1-3-9(4-2-8)16-12(18)7-14-10-5-11(17)15-6-10/h1-4,10,14H,5-7H2,(H,15,17)(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide?
N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide has a molecular weight of 251.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 106189109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).