N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide

C23H26Cl2N6O3 — CID 18433406

IUPACN-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide
SMILESCC(C1CCCCC1)N(C)C(=O)c1cc(Oc2c(Cl)cc(Nc3nn[nH]n3)cc2Cl)ccc1O
InChIInChI=1S/C23H26Cl2N6O3/c1-13(14-6-4-3-5-7-14)31(2)22(33)17-12-16(8-9-20(17)32)34-21-18(24)10-15(11-19(21)25)26-23-27-29-30-28-23/h8-14,32H,3-7H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyXKYWPBCGEINLSA-UHFFFAOYSA-N
MW505.41 g/mol
LogP5.79
Rot. Bonds7

About N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide

N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide (PubChem CID 18433406) has the molecular formula C23H26Cl2N6O3 and a molecular weight of 505.41 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide
PubChem CID18433406
Molecular FormulaC23H26Cl2N6O3
Molecular Weight505.41 g/mol
Exact Mass504.14
IUPAC NameN-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide
SMILESCC(C1CCCCC1)N(C)C(=O)c1cc(Oc2c(Cl)cc(Nc3nn[nH]n3)cc2Cl)ccc1O
InChIInChI=1S/C23H26Cl2N6O3/c1-13(14-6-4-3-5-7-14)31(2)22(33)17-12-16(8-9-20(17)32)34-21-18(24)10-15(11-19(21)25)26-23-27-29-30-28-23/h8-14,32H,3-7H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyXKYWPBCGEINLSA-UHFFFAOYSA-N
XLogP5.79
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide (CID 18433406) is N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide is CC(C1CCCCC1)N(C)C(=O)c1cc(Oc2c(Cl)cc(Nc3nn[nH]n3)cc2Cl)ccc1O.
What is the InChIKey of N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide?
The InChIKey is XKYWPBCGEINLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N6O3/c1-13(14-6-4-3-5-7-14)31(2)22(33)17-12-16(8-9-20(17)32)34-21-18(24)10-15(11-19(21)25)26-23-27-29-30-28-23/h8-14,32H,3-7H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide?
N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide has a molecular weight of 505.41 g/mol, XLogP of 5.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-5-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 18433406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).