N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C18H16F3N5O2 — CID 8598231

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F3N5O2/c19-14-5-3-13(4-6-14)17-23-25-26(24-17)11-16(27)22-10-9-12-1-7-15(8-2-12)28-18(20)21/h1-8,18H,9-11H2,(H,22,27)
InChIKeyYNAKPPKHVILLJP-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.44
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 8598231) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID8598231
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F3N5O2/c19-14-5-3-13(4-6-14)17-23-25-26(24-17)11-16(27)22-10-9-12-1-7-15(8-2-12)28-18(20)21/h1-8,18H,9-11H2,(H,22,27)
InChIKeyYNAKPPKHVILLJP-UHFFFAOYSA-N
XLogP2.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
2-fluoro-N-[4-[2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440135
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 856763
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26818935
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 8598231) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is YNAKPPKHVILLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-14-5-3-13(4-6-14)17-23-25-26(24-17)11-16(27)22-10-9-12-1-7-15(8-2-12)28-18(20)21/h1-8,18H,9-11H2,(H,22,27).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 391.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 8598231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).