3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide

C24H27ClN6O2 — CID 53323726

IUPAC3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide
SMILESCC(=O)N(c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1)C1CCCCC1
InChIInChI=1S/C24H27ClN6O2/c1-16-10-18(13-22(11-16)31(17(2)32)21-6-4-3-5-7-21)24(33)26-14-19-12-20(25)8-9-23(19)30-15-27-28-29-30/h8-13,15,21H,3-7,14H2,1-2H3,(H,26,33)
InChIKeyMJDPWIRJSUHECM-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.24
Rot. Bonds6

About 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide

3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide (PubChem CID 53323726) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide
PubChem CID53323726
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide
SMILESCC(=O)N(c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1)C1CCCCC1
InChIInChI=1S/C24H27ClN6O2/c1-16-10-18(13-22(11-16)31(17(2)32)21-6-4-3-5-7-21)24(33)26-14-19-12-20(25)8-9-23(19)30-15-27-28-29-30/h8-13,15,21H,3-7,14H2,1-2H3,(H,26,33)
InChIKeyMJDPWIRJSUHECM-UHFFFAOYSA-N
XLogP4.24
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide (CID 53323726) is 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide is CC(=O)N(c1cc(C)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1)C1CCCCC1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?
The InChIKey is MJDPWIRJSUHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-16-10-18(13-22(11-16)31(17(2)32)21-6-4-3-5-7-21)24(33)26-14-19-12-20(25)8-9-23(19)30-15-27-28-29-30/h8-13,15,21H,3-7,14H2,1-2H3,(H,26,33).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?
3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide has a molecular weight of 466.97 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 53323726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).