N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide

C18H18F2N6O — CID 18087647

IUPACN-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C18H18F2N6O/c1-2-25(12-17(27)21-18-14(19)9-6-10-15(18)20)11-16-22-23-24-26(16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,27)
InChIKeyPWZBALYHCGKMRA-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.40
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide

N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide (PubChem CID 18087647) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
PubChem CID18087647
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC NameN-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C18H18F2N6O/c1-2-25(12-17(27)21-18-14(19)9-6-10-15(18)20)11-16-22-23-24-26(16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,27)
InChIKeyPWZBALYHCGKMRA-UHFFFAOYSA-N
XLogP2.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide (CID 18087647) is N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)Cc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
The InChIKey is PWZBALYHCGKMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O/c1-2-25(12-17(27)21-18-14(19)9-6-10-15(18)20)11-16-22-23-24-26(16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,27).
What are the key properties of N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 18087647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).