N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

C20H19FN6O2 — CID 126449009

IUPACN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN6O2/c1-13-23-24-25-27(13)11-14-2-4-15(5-3-14)20(29)22-17-10-19(28)26(12-17)18-8-6-16(21)7-9-18/h2-9,17H,10-12H2,1H3,(H,22,29)/t17-/m0/s1
InChIKeyNTRMEBXHJYUFDF-KRWDZBQOSA-N
MW394.41 g/mol
LogP1.70
Rot. Bonds5

About N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (PubChem CID 126449009) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
PubChem CID126449009
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC NameN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN6O2/c1-13-23-24-25-27(13)11-14-2-4-15(5-3-14)20(29)22-17-10-19(28)26(12-17)18-8-6-16(21)7-9-18/h2-9,17H,10-12H2,1H3,(H,22,29)/t17-/m0/s1
InChIKeyNTRMEBXHJYUFDF-KRWDZBQOSA-N
XLogP1.70
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
CID 166374685
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (CID 126449009) is N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is Cc1nnnn1Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The InChIKey is NTRMEBXHJYUFDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-13-23-24-25-27(13)11-14-2-4-15(5-3-14)20(29)22-17-10-19(28)26(12-17)18-8-6-16(21)7-9-18/h2-9,17H,10-12H2,1H3,(H,22,29)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide has a molecular weight of 394.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 126449009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).