[4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate

C24H27FN2O4 — CID 10137280

IUPAC[4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC1CCC(CNC(=O)c2cc(F)ccc2O)(c2ccccc2)CC1
InChIInChI=1S/C24H27FN2O4/c1-2-14-26-23(30)31-19-10-12-24(13-11-19,17-6-4-3-5-7-17)16-27-22(29)20-15-18(25)8-9-21(20)28/h2-9,15,19,28H,1,10-14,16H2,(H,26,30)(H,27,29)
InChIKeyQMXNMCBRGFCGPH-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.05
Rot. Bonds7

About [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate

[4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate (PubChem CID 10137280) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate.

Molecular Properties

Compound Name[4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate
PubChem CID10137280
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name[4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC1CCC(CNC(=O)c2cc(F)ccc2O)(c2ccccc2)CC1
InChIInChI=1S/C24H27FN2O4/c1-2-14-26-23(30)31-19-10-12-24(13-11-19,17-6-4-3-5-7-17)16-27-22(29)20-15-18(25)8-9-21(20)28/h2-9,15,19,28H,1,10-14,16H2,(H,26,30)(H,27,29)
InChIKeyQMXNMCBRGFCGPH-UHFFFAOYSA-N
XLogP4.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-YL)carbonyl]-beta-alaninate
CID 25150855
Propyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 10113124
Allyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 10137057
Methyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 10178880
{4-[(2-Methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl}-carbamic acid allyl ester
CID 10387528
(2-Methoxy-ethyl)-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 18009437
(3-Methoxy-propyl)-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 18009456
Butyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 18009461
(2-Hydroxy-ethyl)-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 18009465
Carbonic acid allyl ester 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 18009473
Isopropyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 18009489

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate?
The IUPAC name of [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate (CID 10137280) is [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate.
What is the SMILES notation for [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate?
The canonical SMILES for [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate is C=CCNC(=O)OC1CCC(CNC(=O)c2cc(F)ccc2O)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate?
The InChIKey is QMXNMCBRGFCGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-2-14-26-23(30)31-19-10-12-24(13-11-19,17-6-4-3-5-7-17)16-27-22(29)20-15-18(25)8-9-21(20)28/h2-9,15,19,28H,1,10-14,16H2,(H,26,30)(H,27,29).
What are the key properties of [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate?
[4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate has a molecular weight of 426.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-prop-2-enylcarbamate is sourced from PubChem (CID 10137280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).