3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide

C22H30F2N2O5 — CID 175446810

IUPAC3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide
SMILESCOc1ccc(OC2CCC(C)(C(N)=O)CC2)c(F)c1C(=O)NCC1(F)CCOCC1
InChIInChI=1S/C22H30F2N2O5/c1-21(20(25)28)7-5-14(6-8-21)31-16-4-3-15(29-2)17(18(16)23)19(27)26-13-22(24)9-11-30-12-10-22/h3-4,14H,5-13H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyWLRLVVRQQHSWSV-UHFFFAOYSA-N
MW440.49 g/mol
LogP2.90
Rot. Bonds7

About 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide

3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide (PubChem CID 175446810) has the molecular formula C22H30F2N2O5 and a molecular weight of 440.49 g/mol. Its IUPAC name is 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide.

Molecular Properties

Compound Name3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide
PubChem CID175446810
Molecular FormulaC22H30F2N2O5
Molecular Weight440.49 g/mol
Exact Mass440.21
IUPAC Name3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide
SMILESCOc1ccc(OC2CCC(C)(C(N)=O)CC2)c(F)c1C(=O)NCC1(F)CCOCC1
InChIInChI=1S/C22H30F2N2O5/c1-21(20(25)28)7-5-14(6-8-21)31-16-4-3-15(29-2)17(18(16)23)19(27)26-13-22(24)9-11-30-12-10-22/h3-4,14H,5-13H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyWLRLVVRQQHSWSV-UHFFFAOYSA-N
XLogP2.90
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide with MolForge

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Related Compounds

3-[[5-(4-carbamoyl-4-methylcyclohexyl)oxy-4-fluoro-2-methoxybenzoyl]amino]-N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395235
2-fluoro-6-methoxy-N-[(1-methylcyclobutyl)methyl]-3-[4-methyl-4-(2H-tetrazol-5-yl)cyclohexyl]oxybenzamide
CID 175446743
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
3-[[5-(4-carbamoyl-4-methylcyclohexyl)oxy-4-fluoro-2-methoxybenzoyl]amino]-N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395980
(1R,2S,3R,4S)-3-[[5-(4-carbamoyl-4-methylcyclohexyl)oxy-4-fluoro-2-methoxybenzoyl]amino]-N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395875
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxane-4-carboxamide
CID 71972857
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119215445

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide?
The IUPAC name of 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide (CID 175446810) is 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide.
What is the SMILES notation for 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide?
The canonical SMILES for 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide is COc1ccc(OC2CCC(C)(C(N)=O)CC2)c(F)c1C(=O)NCC1(F)CCOCC1.
What is the InChIKey of 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide?
The InChIKey is WLRLVVRQQHSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N2O5/c1-21(20(25)28)7-5-14(6-8-21)31-16-4-3-15(29-2)17(18(16)23)19(27)26-13-22(24)9-11-30-12-10-22/h3-4,14H,5-13H2,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide?
3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide has a molecular weight of 440.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-4-methylcyclohexyl)oxy-2-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-methoxybenzamide is sourced from PubChem (CID 175446810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).