2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide

C17H15Cl2N5O — CID 99160430

IUPAC2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1nnnn1-c1ccccc1
InChIInChI=1S/C17H15Cl2N5O/c1-11(17-21-22-23-24(17)12-6-3-2-4-7-12)20-16(25)10-13-14(18)8-5-9-15(13)19/h2-9,11H,10H2,1H3,(H,20,25)/t11-/m1/s1
InChIKeyQWSDSNSQDHONCG-LLVKDONJSA-N
MW376.25 g/mol
LogP3.39
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide

2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide (PubChem CID 99160430) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
PubChem CID99160430
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1nnnn1-c1ccccc1
InChIInChI=1S/C17H15Cl2N5O/c1-11(17-21-22-23-24(17)12-6-3-2-4-7-12)20-16(25)10-13-14(18)8-5-9-15(13)19/h2-9,11H,10H2,1H3,(H,20,25)/t11-/m1/s1
InChIKeyQWSDSNSQDHONCG-LLVKDONJSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122160147
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 99210544
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea
CID 86969996
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
2-(2,6-dichlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7899735

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide (CID 99160430) is 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide is C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide?
The InChIKey is QWSDSNSQDHONCG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-11(17-21-22-23-24(17)12-6-3-2-4-7-12)20-16(25)10-13-14(18)8-5-9-15(13)19/h2-9,11H,10H2,1H3,(H,20,25)/t11-/m1/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide?
2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide has a molecular weight of 376.25 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 99160430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).