2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide

C13H15ClFN5O2 — CID 99605001

IUPAC2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESC[C@H](CN(C)C(=O)COc1ccc(F)c(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C13H15ClFN5O2/c1-8(13-16-18-19-17-13)6-20(2)12(21)7-22-9-3-4-11(15)10(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,17,18,19)/t8-/m1/s1
InChIKeyWPRLYUWXYFOBMC-MRVPVSSYSA-N
MW327.75 g/mol
LogP1.63
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide (PubChem CID 99605001) has the molecular formula C13H15ClFN5O2 and a molecular weight of 327.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
PubChem CID99605001
Molecular FormulaC13H15ClFN5O2
Molecular Weight327.75 g/mol
Exact Mass327.09
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESC[C@H](CN(C)C(=O)COc1ccc(F)c(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C13H15ClFN5O2/c1-8(13-16-18-19-17-13)6-20(2)12(21)7-22-9-3-4-11(15)10(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,17,18,19)/t8-/m1/s1
InChIKeyWPRLYUWXYFOBMC-MRVPVSSYSA-N
XLogP1.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide
CID 91649078
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 130701896
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 99606683
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide (CID 99605001) is 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide is C[C@H](CN(C)C(=O)COc1ccc(F)c(Cl)c1)c1nn[nH]n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The InChIKey is WPRLYUWXYFOBMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClFN5O2/c1-8(13-16-18-19-17-13)6-20(2)12(21)7-22-9-3-4-11(15)10(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,17,18,19)/t8-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide has a molecular weight of 327.75 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 99605001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).