4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide

C23H27FN2O4 — CID 146018690

IUPAC4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide
SMILESCC(=O)Nc1c(F)cc(C(=O)NC2CCC(O)CC2)cc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18?,19?/m0/s1
InChIKeyFRBRZGLUFOZRGD-YCMKEVRSSA-N
MW414.48 g/mol
LogP3.96
Rot. Bonds6

About 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide

4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide (PubChem CID 146018690) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide.

Molecular Properties

Compound Name4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide
PubChem CID146018690
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide
SMILESCC(=O)Nc1c(F)cc(C(=O)NC2CCC(O)CC2)cc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18?,19?/m0/s1
InChIKeyFRBRZGLUFOZRGD-YCMKEVRSSA-N
XLogP3.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxybenzamide
CID 4459139
3-isopropoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 979227
1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 118643388
N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
CID 118727124
4-acetamido-N-(4-hydroxycyclohexyl)-3-[(1S)-1-phenylethoxy]benzamide
CID 162664047
(3-Phenoxybenzoylamino)benzoic acid deriv., 23f
CID 11235448
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-propoxybenzamide
CID 44530434
(2S)-2-[[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylmethoxybenzoyl]amino]-4-phenylbutanoic acid;hydrochloride
CID 56663446
3-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 57390115
N-cyclohexyl-3-methyl-10-oxo-2-phenyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 60195576
N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
CID 118727123
N-[4-[2-[[(2S)-3-[3-(acetamidomethyl)phenoxy]-2-hydroxypropyl]amino]ethyl]phenyl]-2-phenylacetamide
CID 145984042

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide?
The IUPAC name of 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide (CID 146018690) is 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide.
What is the SMILES notation for 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide?
The canonical SMILES for 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide is CC(=O)Nc1c(F)cc(C(=O)NC2CCC(O)CC2)cc1O[C@@H](C)c1ccccc1.
What is the InChIKey of 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide?
The InChIKey is FRBRZGLUFOZRGD-YCMKEVRSSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18?,19?/m0/s1.
What are the key properties of 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide?
4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide has a molecular weight of 414.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide is sourced from PubChem (CID 146018690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).