N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C16H13F2N5O — CID 2990806

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccc(F)cc1
InChIInChI=1S/C16H13F2N5O/c17-12-7-5-11(6-8-12)9-19-15(24)10-23-21-16(20-22-23)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,24)
InChIKeyIAAMCMBGNSYVJY-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.93
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 2990806) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID2990806
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccc(F)cc1
InChIInChI=1S/C16H13F2N5O/c17-12-7-5-11(6-8-12)9-19-15(24)10-23-21-16(20-22-23)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,24)
InChIKeyIAAMCMBGNSYVJY-UHFFFAOYSA-N
XLogP1.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
N-[2-(benzylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 3755747
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144127
(2S)-2-(3-fluoro-N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 1144209
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 1168126
(2S)-N-[(4-fluorophenyl)methyl]-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-thiophen-2-ylacetamide
CID 1144204
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
2-fluoro-N-[4-[2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440135

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 2990806) is N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is IAAMCMBGNSYVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-12-7-5-11(6-8-12)9-19-15(24)10-23-21-16(20-22-23)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 329.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 2990806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).