2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide

C16H12ClF3N6O — CID 154801311

IUPAC2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide
SMILESO=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NC(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C16H12ClF3N6O/c17-12-7-10(16(18,19)20)6-11(21-12)8-13(27)22-14(15-23-25-26-24-15)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,22,27)(H,23,24,25,26)
InChIKeyBZXOHCABZBLQRB-UHFFFAOYSA-N
MW396.76 g/mol
LogP2.72
Rot. Bonds5

About 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide

2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide (PubChem CID 154801311) has the molecular formula C16H12ClF3N6O and a molecular weight of 396.76 g/mol. Its IUPAC name is 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide
PubChem CID154801311
Molecular FormulaC16H12ClF3N6O
Molecular Weight396.76 g/mol
Exact Mass396.07
IUPAC Name2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide
SMILESO=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NC(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C16H12ClF3N6O/c17-12-7-10(16(18,19)20)6-11(21-12)8-13(27)22-14(15-23-25-26-24-15)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,22,27)(H,23,24,25,26)
InChIKeyBZXOHCABZBLQRB-UHFFFAOYSA-N
XLogP2.72
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide
CID 126816197
3-(2,4-dichlorophenyl)-N-[(R)-(3,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]propanamide
CID 100687166
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
CID 155949277
(3E)-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]hexa-3,5-dienamide
CID 167847204
N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
CID 151383687
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
CID 3848305
3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
CID 110208573
3-chloro-2-[(4-nitrophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
CID 110208574
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 166400577

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide (CID 154801311) is 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide is O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NC(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide?
The InChIKey is BZXOHCABZBLQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N6O/c17-12-7-10(16(18,19)20)6-11(21-12)8-13(27)22-14(15-23-25-26-24-15)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,22,27)(H,23,24,25,26).
What are the key properties of 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide?
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide has a molecular weight of 396.76 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 154801311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).