2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide

C15H11ClFN5O — CID 29139776

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C15H11ClFN5O/c16-14-6-5-12(22-9-19-20-21-22)7-13(14)15(23)18-8-10-1-3-11(17)4-2-10/h1-7,9H,8H2,(H,18,23)
InChIKeyVQNGNRIHQRHEHW-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.38
Rot. Bonds4

About 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide

2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide (PubChem CID 29139776) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
PubChem CID29139776
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C15H11ClFN5O/c16-14-6-5-12(22-9-19-20-21-22)7-13(14)15(23)18-8-10-1-3-11(17)4-2-10/h1-7,9H,8H2,(H,18,23)
InChIKeyVQNGNRIHQRHEHW-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide (CID 29139776) is 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide is O=C(NCc1ccc(F)cc1)c1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is VQNGNRIHQRHEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-14-6-5-12(22-9-19-20-21-22)7-13(14)15(23)18-8-10-1-3-11(17)4-2-10/h1-7,9H,8H2,(H,18,23).
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide?
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide has a molecular weight of 331.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).