N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide

C19H17FN6O2 — CID 92626128

IUPACN-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C19H17FN6O2/c20-16-3-1-2-4-17(16)26-11-15(9-18(26)27)22-19(28)14-7-5-13(6-8-14)10-25-12-21-23-24-25/h1-8,12,15H,9-11H2,(H,22,28)/t15-/m0/s1
InChIKeyGTTIIYJXODUNLE-HNNXBMFYSA-N
MW380.38 g/mol
LogP1.40
Rot. Bonds5

About N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 92626128) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID92626128
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC NameN-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C19H17FN6O2/c20-16-3-1-2-4-17(16)26-11-15(9-18(26)27)22-19(28)14-7-5-13(6-8-14)10-25-12-21-23-24-25/h1-8,12,15H,9-11H2,(H,22,28)/t15-/m0/s1
InChIKeyGTTIIYJXODUNLE-HNNXBMFYSA-N
XLogP1.40
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)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

1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166214840
1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide
CID 46976353
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42189803
N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 28733201
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 126449009
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
CID 166374685
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74248587
3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46975669
N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
CID 95323518
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide
CID 167829897
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide (CID 92626128) is N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide is O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is GTTIIYJXODUNLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-16-3-1-2-4-17(16)26-11-15(9-18(26)27)22-19(28)14-7-5-13(6-8-14)10-25-12-21-23-24-25/h1-8,12,15H,9-11H2,(H,22,28)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 380.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 92626128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).