N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide

C21H14ClF2N5O2 — CID 2103578

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2c(F)cccc2F)n1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H14ClF2N5O2/c22-13-9-10-18(31-14-5-2-1-3-6-14)17(11-13)25-19(30)12-29-27-21(26-28-29)20-15(23)7-4-8-16(20)24/h1-11H,12H2,(H,25,30)
InChIKeyCXGRXDBANWIWLD-UHFFFAOYSA-N
MW441.83 g/mol
LogP4.70
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 2103578) has the molecular formula C21H14ClF2N5O2 and a molecular weight of 441.83 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide
PubChem CID2103578
Molecular FormulaC21H14ClF2N5O2
Molecular Weight441.83 g/mol
Exact Mass441.08
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2c(F)cccc2F)n1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H14ClF2N5O2/c22-13-9-10-18(31-14-5-2-1-3-6-14)17(11-13)25-19(30)12-29-27-21(26-28-29)20-15(23)7-4-8-16(20)24/h1-11H,12H2,(H,25,30)
InChIKeyCXGRXDBANWIWLD-UHFFFAOYSA-N
XLogP4.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4853195
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2399286
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 4802995

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide (CID 2103578) is N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2c(F)cccc2F)n1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is CXGRXDBANWIWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N5O2/c22-13-9-10-18(31-14-5-2-1-3-6-14)17(11-13)25-19(30)12-29-27-21(26-28-29)20-15(23)7-4-8-16(20)24/h1-11H,12H2,(H,25,30).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 441.83 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[5-(2,6-difluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 2103578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).