4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide

C18H18ClN5O3 — CID 24654123

IUPAC4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CC(O)COCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H18ClN5O3/c19-16-4-2-1-3-14(16)10-27-11-15(25)9-24-22-18(21-23-24)13-7-5-12(6-8-13)17(20)26/h1-8,15,25H,9-11H2,(H2,20,26)
InChIKeyQIDWERGKAYGJIV-UHFFFAOYSA-N
MW387.83 g/mol
LogP1.67
Rot. Bonds8

About 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide

4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide (PubChem CID 24654123) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
PubChem CID24654123
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CC(O)COCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H18ClN5O3/c19-16-4-2-1-3-14(16)10-27-11-15(25)9-24-22-18(21-23-24)13-7-5-12(6-8-13)17(20)26/h1-8,15,25H,9-11H2,(H2,20,26)
InChIKeyQIDWERGKAYGJIV-UHFFFAOYSA-N
XLogP1.67
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide (CID 24654123) is 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(CC(O)COCc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The InChIKey is QIDWERGKAYGJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c19-16-4-2-1-3-14(16)10-27-11-15(25)9-24-22-18(21-23-24)13-7-5-12(6-8-13)17(20)26/h1-8,15,25H,9-11H2,(H2,20,26).
What are the key properties of 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide?
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide has a molecular weight of 387.83 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 24654123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).