4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide

C17H15Cl2N5O3 — CID 42942047

IUPAC4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CC(O)COc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C17H15Cl2N5O3/c18-12-5-6-15(14(19)7-12)27-9-13(25)8-24-22-17(21-23-24)11-3-1-10(2-4-11)16(20)26/h1-7,13,25H,8-9H2,(H2,20,26)
InChIKeyDSQLKIBNUPNLGA-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.19
Rot. Bonds7

About 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide

4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide (PubChem CID 42942047) has the molecular formula C17H15Cl2N5O3 and a molecular weight of 408.25 g/mol. Its IUPAC name is 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
PubChem CID42942047
Molecular FormulaC17H15Cl2N5O3
Molecular Weight408.25 g/mol
Exact Mass407.06
IUPAC Name4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CC(O)COc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C17H15Cl2N5O3/c18-12-5-6-15(14(19)7-12)27-9-13(25)8-24-22-17(21-23-24)11-3-1-10(2-4-11)16(20)26/h1-7,13,25H,8-9H2,(H2,20,26)
InChIKeyDSQLKIBNUPNLGA-UHFFFAOYSA-N
XLogP2.19
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 56684959
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide
CID 69145581
4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996432
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
CID 94386508
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411596
4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996445

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide (CID 42942047) is 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(CC(O)COc3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The InChIKey is DSQLKIBNUPNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O3/c18-12-5-6-15(14(19)7-12)27-9-13(25)8-24-22-17(21-23-24)11-3-1-10(2-4-11)16(20)26/h1-7,13,25H,8-9H2,(H2,20,26).
What are the key properties of 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide has a molecular weight of 408.25 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 42942047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).