N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide

C24H31FN2O2 — CID 26346079

IUPACN-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide
SMILESC[C@H](CNC(=O)c1cccc(F)c1)Oc1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-18(16-26-24(28)20-7-6-8-21(25)15-20)29-23-13-11-19(12-14-23)17-27(2)22-9-4-3-5-10-22/h6-8,11-15,18,22H,3-5,9-10,16-17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBKZNVURKHQPFPD-GOSISDBHSA-N
MW398.52 g/mol
LogP4.79
Rot. Bonds8

About N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide

N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide (PubChem CID 26346079) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide
PubChem CID26346079
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide
SMILESC[C@H](CNC(=O)c1cccc(F)c1)Oc1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-18(16-26-24(28)20-7-6-8-21(25)15-20)29-23-13-11-19(12-14-23)17-27(2)22-9-4-3-5-10-22/h6-8,11-15,18,22H,3-5,9-10,16-17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBKZNVURKHQPFPD-GOSISDBHSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
N-ethyl-3-[[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111680908
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]methyl]benzamide
CID 111681394
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
CID 120519342
3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 42213619
1-cyclopentyl-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111495739
3-[cyclohexyl(methyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653199

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide?
The IUPAC name of N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide (CID 26346079) is N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide is C[C@H](CNC(=O)c1cccc(F)c1)Oc1ccc(CN(C)C2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide?
The InChIKey is BKZNVURKHQPFPD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-18(16-26-24(28)20-7-6-8-21(25)15-20)29-23-13-11-19(12-14-23)17-27(2)22-9-4-3-5-10-22/h6-8,11-15,18,22H,3-5,9-10,16-17H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide?
N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide has a molecular weight of 398.52 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]-3-fluorobenzamide is sourced from PubChem (CID 26346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).