2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide

C16H14ClN5O2 — CID 111102341

IUPAC2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccccc1CO)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C16H14ClN5O2/c17-15-7-13(22-10-19-20-21-22)5-6-14(15)16(24)18-8-11-3-1-2-4-12(11)9-23/h1-7,10,23H,8-9H2,(H,18,24)
InChIKeyGZPRGYMDUXEDDX-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.74
Rot. Bonds5

About 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide

2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 111102341) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID111102341
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccccc1CO)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C16H14ClN5O2/c17-15-7-13(22-10-19-20-21-22)5-6-14(15)16(24)18-8-11-3-1-2-4-12(11)9-23/h1-7,10,23H,8-9H2,(H,18,24)
InChIKeyGZPRGYMDUXEDDX-UHFFFAOYSA-N
XLogP1.74
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 120945715
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 136546547
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110909050
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 16652528
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
CID 121399226
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide (CID 111102341) is 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide is O=C(NCc1ccccc1CO)c1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GZPRGYMDUXEDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-15-7-13(22-10-19-20-21-22)5-6-14(15)16(24)18-8-11-3-1-2-4-12(11)9-23/h1-7,10,23H,8-9H2,(H,18,24).
What are the key properties of 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 343.77 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 111102341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).