2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide

C19H19FN6O2 — CID 646056

IUPAC2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCC(C)NC(=O)Cn1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1
InChIInChI=1S/C19H19FN6O2/c1-12(2)21-17(27)11-26-24-18(23-25-26)13-6-5-7-14(10-13)22-19(28)15-8-3-4-9-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyZQUWIOGMNPOBKG-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.26
Rot. Bonds6

About 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide

2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 646056) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID646056
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCC(C)NC(=O)Cn1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1
InChIInChI=1S/C19H19FN6O2/c1-12(2)21-17(27)11-26-24-18(23-25-26)13-6-5-7-14(10-13)22-19(28)15-8-3-4-9-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyZQUWIOGMNPOBKG-UHFFFAOYSA-N
XLogP2.26
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
3-[(Dimethylamino)methyl]-N-[3-(1h-Tetrazol-5-Yl)phenyl]benzamide
CID 56851707
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
4-Fluoro-N-(4-{2-[(3-methoxy-propylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 656171
2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1452544
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide
CID 2224231
N-tert-Butyl-2-[{2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-(5,6,7,8-tetrahydro-naphthalen-1-yl)-amino]-butyramide
CID 3190066
4-[[2-[5-(2-fluorophenyl)tetrazol-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 16013929
N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide
CID 45137735
N-[6-(2-aminoanilino)-6-oxohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 60207640
4-Fluoro-N-(2-{2-[(3-methoxy-propylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 654103
N-Cyclopentylcarbamoylmethyl-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-N-p-tolyl-acetamide
CID 3179740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide (CID 646056) is 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide is CC(C)NC(=O)Cn1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1.
What is the InChIKey of 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is ZQUWIOGMNPOBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-12(2)21-17(27)11-26-24-18(23-25-26)13-6-5-7-14(10-13)22-19(28)15-8-3-4-9-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide?
2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 382.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 646056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).