N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide

C11H11F2N5O — CID 51076670

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cnnn1
InChIInChI=1S/C11H11F2N5O/c1-17(11(19)6-18-7-14-15-16-18)5-8-2-3-9(12)10(13)4-8/h2-4,7H,5-6H2,1H3
InChIKeyPTEWVBWGCOXBBJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.61
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide

N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 51076670) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID51076670
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cnnn1
InChIInChI=1S/C11H11F2N5O/c1-17(11(19)6-18-7-14-15-16-18)5-8-2-3-9(12)10(13)4-8/h2-4,7H,5-6H2,1H3
InChIKeyPTEWVBWGCOXBBJ-UHFFFAOYSA-N
XLogP0.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 115459306
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
2-(3-aminopyrazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 62111533
N-[[4-(dimethylamino)phenyl]methyl]-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56801304
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9150717
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide (CID 51076670) is N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide is CN(Cc1ccc(F)c(F)c1)C(=O)Cn1cnnn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is PTEWVBWGCOXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c1-17(11(19)6-18-7-14-15-16-18)5-8-2-3-9(12)10(13)4-8/h2-4,7H,5-6H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 267.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 51076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).