N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C21H20FN5O2 — CID 126778112

IUPACN-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)C3=O)cc2)n1
InChIInChI=1S/C21H20FN5O2/c1-26-13-23-19(25-26)15-4-6-16(7-5-15)20(28)24-18-10-11-27(21(18)29)12-14-2-8-17(22)9-3-14/h2-9,13,18H,10-12H2,1H3,(H,24,28)
InChIKeyITXAVNBIGWCQLN-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.15
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 126778112) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID126778112
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)C3=O)cc2)n1
InChIInChI=1S/C21H20FN5O2/c1-26-13-23-19(25-26)15-4-6-16(7-5-15)20(28)24-18-10-11-27(21(18)29)12-14-2-8-17(22)9-3-14/h2-9,13,18H,10-12H2,1H3,(H,24,28)
InChIKeyITXAVNBIGWCQLN-UHFFFAOYSA-N
XLogP2.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
CID 124841975
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
N-[2-(hydroxymethyl)cyclohexyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021776
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
1-[(4-fluorophenyl)methyl]-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 122145629
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
CID 53488317
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
4-butoxy-N-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835672

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 126778112) is N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(-c2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)C3=O)cc2)n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is ITXAVNBIGWCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-26-13-23-19(25-26)15-4-6-16(7-5-15)20(28)24-18-10-11-27(21(18)29)12-14-2-8-17(22)9-3-14/h2-9,13,18H,10-12H2,1H3,(H,24,28).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 393.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 126778112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).