2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide

C22H16FN5O — CID 59654813

IUPAC2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/c2nn[nH]n2)c1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C22H16FN5O/c23-20-11-10-17(16-6-2-1-3-7-16)14-19(20)22(29)24-18-8-4-5-15(13-18)9-12-21-25-27-28-26-21/h1-14H,(H,24,29)(H,25,26,27,28)/b12-9+
InChIKeyIAJOMUSMQCLVGG-FMIVXFBMSA-N
MW385.40 g/mol
LogP4.43
Rot. Bonds5

About 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide

2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide (PubChem CID 59654813) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide
PubChem CID59654813
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/c2nn[nH]n2)c1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C22H16FN5O/c23-20-11-10-17(16-6-2-1-3-7-16)14-19(20)22(29)24-18-8-4-5-15(13-18)9-12-21-25-27-28-26-21/h1-14H,(H,24,29)(H,25,26,27,28)/b12-9+
InChIKeyIAJOMUSMQCLVGG-FMIVXFBMSA-N
XLogP4.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3,4-difluorophenyl)phenyl]carbamoyl]-4-(2H-triazol-4-yl)benzoic acid
CID 175860756
(E)-3-[4-chloro-3-[(2-fluoro-5-phenylbenzoyl)amino]phenyl]prop-2-enoic acid
CID 15945854
2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
CID 59654625
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylbenzamide
CID 110429071
2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108736855
(E)-3-[3-[(2,5-dichlorobenzoyl)amino]phenyl]prop-2-enoic acid
CID 91682890
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
2,4-dichloro-N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169344301
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-fluoro-N-[3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 940632

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide (CID 59654813) is 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide is O=C(Nc1cccc(/C=C/c2nn[nH]n2)c1)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide?
The InChIKey is IAJOMUSMQCLVGG-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-20-11-10-17(16-6-2-1-3-7-16)14-19(20)22(29)24-18-8-4-5-15(13-18)9-12-21-25-27-28-26-21/h1-14H,(H,24,29)(H,25,26,27,28)/b12-9+.
What are the key properties of 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide?
2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide has a molecular weight of 385.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenyl-N-[3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]benzamide is sourced from PubChem (CID 59654813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).