N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide

C10H8BrF2N5O — CID 86801527

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H8BrF2N5O/c1-5-15-16-17-18(5)4-9(19)14-10-7(11)2-6(12)3-8(10)13/h2-3H,4H2,1H3,(H,14,19)
InChIKeyVLLALLNCTNNMOO-UHFFFAOYSA-N
MW332.11 g/mol
LogP1.66
Rot. Bonds3

About N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide

N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 86801527) has the molecular formula C10H8BrF2N5O and a molecular weight of 332.11 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID86801527
Molecular FormulaC10H8BrF2N5O
Molecular Weight332.11 g/mol
Exact Mass330.99
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H8BrF2N5O/c1-5-15-16-17-18(5)4-9(19)14-10-7(11)2-6(12)3-8(10)13/h2-3H,4H2,1H3,(H,14,19)
InChIKeyVLLALLNCTNNMOO-UHFFFAOYSA-N
XLogP1.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722692
N-(2-bromo-4,6-difluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 39019473
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3949295
N-(2-bromo-4,6-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 71985260
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126355383
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
CID 175080634
methyl 2-[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112805050

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide (CID 86801527) is N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide is Cc1nnnn1CC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is VLLALLNCTNNMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N5O/c1-5-15-16-17-18(5)4-9(19)14-10-7(11)2-6(12)3-8(10)13/h2-3H,4H2,1H3,(H,14,19).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 332.11 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 86801527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).