N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C19H18N6O2 — CID 55564005

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1-n1cnnn1
InChIInChI=1S/C19H18N6O2/c1-13-10-15(7-8-17(13)25-12-20-22-23-25)21-19(27)14-4-2-5-16(11-14)24-9-3-6-18(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,21,27)
InChIKeyKFLHJSZHBPSPBE-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.35
Rot. Bonds4

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55564005) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55564005
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1-n1cnnn1
InChIInChI=1S/C19H18N6O2/c1-13-10-15(7-8-17(13)25-12-20-22-23-25)21-19(27)14-4-2-5-16(11-14)24-9-3-6-18(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,21,27)
InChIKeyKFLHJSZHBPSPBE-UHFFFAOYSA-N
XLogP2.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
3-(2-oxopyrrolidin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217566

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 55564005) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KFLHJSZHBPSPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13-10-15(7-8-17(13)25-12-20-22-23-25)21-19(27)14-4-2-5-16(11-14)24-9-3-6-18(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,21,27).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 362.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55564005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).