3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C22H23ClN6O2 — CID 3192867

IUPAC3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCCC1
InChIInChI=1S/C22H23ClN6O2/c23-16-8-6-7-15(13-16)22(31)25-19-12-5-4-11-18(19)21-26-28-29(27-21)14-20(30)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,24,30)(H,25,31)
InChIKeyOFZATHVVIMVCNK-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.69
Rot. Bonds6

About 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 3192867) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID3192867
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCCC1
InChIInChI=1S/C22H23ClN6O2/c23-16-8-6-7-15(13-16)22(31)25-19-12-5-4-11-18(19)21-26-28-29(27-21)14-20(30)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,24,30)(H,25,31)
InChIKeyOFZATHVVIMVCNK-UHFFFAOYSA-N
XLogP3.69
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 3192867) is 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCCC1.
What is the InChIKey of 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is OFZATHVVIMVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c23-16-8-6-7-15(13-16)22(31)25-19-12-5-4-11-18(19)21-26-28-29(27-21)14-20(30)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,14H2,(H,24,30)(H,25,31).
What are the key properties of 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 438.92 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-[2-(cyclohexylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 3192867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).