[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate

C21H23FN2O3 — CID 118438186

IUPAC[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESCNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2F)c1
InChIInChI=1S/C21H23FN2O3/c1-23-20(25)15-7-5-6-14(12-15)18-13-17(10-11-19(18)22)27-21(26)24-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,23,25)(H,24,26)
InChIKeyZEFAMQSZXGEMJD-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.27
Rot. Bonds4

About [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate

[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate (PubChem CID 118438186) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate
PubChem CID118438186
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESCNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2F)c1
InChIInChI=1S/C21H23FN2O3/c1-23-20(25)15-7-5-6-14(12-15)18-13-17(10-11-19(18)22)27-21(26)24-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,23,25)(H,24,26)
InChIKeyZEFAMQSZXGEMJD-UHFFFAOYSA-N
XLogP4.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate (CID 118438186) is [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate is CNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2F)c1.
What is the InChIKey of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is ZEFAMQSZXGEMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-23-20(25)15-7-5-6-14(12-15)18-13-17(10-11-19(18)22)27-21(26)24-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate?
[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 370.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 118438186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).