3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

C42H48F2N2O7 — CID 157180794

IUPAC3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(F)cc(OC2CCCCC2)c1.O=C(O)c1cc(F)cc(OC2CCCCC2)c1
InChIInChI=1S/C29H33FN2O4.C13H15FO3/c30-22-18-21(19-24(20-22)36-23-6-2-1-3-7-23)29(33)31-27-10-11-28(26-9-5-4-8-25(26)27)35-17-14-32-12-15-34-16-13-32;14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h4-5,8-11,18-20,23H,1-3,6-7,12-17H2,(H,31,33);6-8,11H,1-5H2,(H,15,16)
InChIKeyAONVCKPNSAQIML-UHFFFAOYSA-N
MW730.85 g/mol
LogP8.89
Rot. Bonds11

About 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 157180794) has the molecular formula C42H48F2N2O7 and a molecular weight of 730.85 g/mol. Its IUPAC name is 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID157180794
Molecular FormulaC42H48F2N2O7
Molecular Weight730.85 g/mol
Exact Mass730.34
IUPAC Name3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(F)cc(OC2CCCCC2)c1.O=C(O)c1cc(F)cc(OC2CCCCC2)c1
InChIInChI=1S/C29H33FN2O4.C13H15FO3/c30-22-18-21(19-24(20-22)36-23-6-2-1-3-7-23)29(33)31-27-10-11-28(26-9-5-4-8-25(26)27)35-17-14-32-12-15-34-16-13-32;14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h4-5,8-11,18-20,23H,1-3,6-7,12-17H2,(H,31,33);6-8,11H,1-5H2,(H,15,16)
InChIKeyAONVCKPNSAQIML-UHFFFAOYSA-N
XLogP8.89
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.85
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
CID 59553278
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 157180794) is 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(F)cc(OC2CCCCC2)c1.O=C(O)c1cc(F)cc(OC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is AONVCKPNSAQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O4.C13H15FO3/c30-22-18-21(19-24(20-22)36-23-6-2-1-3-7-23)29(33)31-27-10-11-28(26-9-5-4-8-25(26)27)35-17-14-32-12-15-34-16-13-32;14-10-6-9(13(15)16)7-12(8-10)17-11-4-2-1-3-5-11/h4-5,8-11,18-20,23H,1-3,6-7,12-17H2,(H,31,33);6-8,11H,1-5H2,(H,15,16).
What are the key properties of 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 730.85 g/mol, XLogP of 8.89, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 157180794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).