2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide

C22H30FN5O3 — CID 175446743

IUPAC2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide
SMILESCOc1ccc(OC2CCC(C)(c3nn[nH]n3)CC2)c(F)c1C(=O)NCC1(C)CCC1
InChIInChI=1S/C22H30FN5O3/c1-21(9-4-10-21)13-24-19(29)17-15(30-3)5-6-16(18(17)23)31-14-7-11-22(2,12-8-14)20-25-27-28-26-20/h5-6,14H,4,7-13H2,1-3H3,(H,24,29)(H,25,26,27,28)
InChIKeyQQKNNJUSPFYZNE-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.55
Rot. Bonds7

About 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide

2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide (PubChem CID 175446743) has the molecular formula C22H30FN5O3 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide
PubChem CID175446743
Molecular FormulaC22H30FN5O3
Molecular Weight431.51 g/mol
Exact Mass431.23
IUPAC Name2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide
SMILESCOc1ccc(OC2CCC(C)(c3nn[nH]n3)CC2)c(F)c1C(=O)NCC1(C)CCC1
InChIInChI=1S/C22H30FN5O3/c1-21(9-4-10-21)13-24-19(29)17-15(30-3)5-6-16(18(17)23)31-14-7-11-22(2,12-8-14)20-25-27-28-26-20/h5-6,14H,4,7-13H2,1-3H3,(H,24,29)(H,25,26,27,28)
InChIKeyQQKNNJUSPFYZNE-UHFFFAOYSA-N
XLogP3.55
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide (CID 175446743) is 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide is COc1ccc(OC2CCC(C)(c3nn[nH]n3)CC2)c(F)c1C(=O)NCC1(C)CCC1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide?
The InChIKey is QQKNNJUSPFYZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O3/c1-21(9-4-10-21)13-24-19(29)17-15(30-3)5-6-16(18(17)23)31-14-7-11-22(2,12-8-14)20-25-27-28-26-20/h5-6,14H,4,7-13H2,1-3H3,(H,24,29)(H,25,26,27,28).
What are the key properties of 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide?
2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide has a molecular weight of 431.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide is sourced from PubChem (CID 175446743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).