2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C23H18F2N6O2 — CID 1452544

IUPAC2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C23H18F2N6O2/c24-17-9-5-15(6-10-17)13-26-21(32)14-31-29-22(28-30-31)16-7-11-18(12-8-16)27-23(33)19-3-1-2-4-20(19)25/h1-12H,13-14H2,(H,26,32)(H,27,33)
InChIKeyOYWPGDGRELMDQO-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.19
Rot. Bonds7

About 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 1452544) has the molecular formula C23H18F2N6O2 and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID1452544
Molecular FormulaC23H18F2N6O2
Molecular Weight448.43 g/mol
Exact Mass448.15
IUPAC Name2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C23H18F2N6O2/c24-17-9-5-15(6-10-17)13-26-21(32)14-31-29-22(28-30-31)16-7-11-18(12-8-16)27-23(33)19-3-1-2-4-20(19)25/h1-12H,13-14H2,(H,26,32)(H,27,33)
InChIKeyOYWPGDGRELMDQO-UHFFFAOYSA-N
XLogP3.19
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Fluoro-N-{3-[2-(isopropylcarbamoyl-methyl)-2H-tetrazol-5-yl]-phenyl}-benzamide
CID 646056
4-Fluoro-N-(4-{2-[(3-methoxy-propylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 656171
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide
CID 2224231
4-[[2-[5-(2-fluorophenyl)tetrazol-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 16013929
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737171
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
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
N-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 135372350
4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide
CID 168477806
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-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 1452544) is 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is O=C(Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1)NCc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is OYWPGDGRELMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O2/c24-17-9-5-15(6-10-17)13-26-21(32)14-31-29-22(28-30-31)16-7-11-18(12-8-16)27-23(33)19-3-1-2-4-20(19)25/h1-12H,13-14H2,(H,26,32)(H,27,33).
What are the key properties of 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 448.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1452544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).