1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C19H26FN3O3 — CID 6487866

IUPAC1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)NC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C19H26FN3O3/c20-14-6-4-7-15(12-14)22-18(25)23-19(9-2-1-3-10-19)17(24)21-13-16-8-5-11-26-16/h4,6-7,12,16H,1-3,5,8-11,13H2,(H,21,24)(H2,22,23,25)
InChIKeyPSEKBSIGGYVXJR-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.95
Rot. Bonds5

About 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 6487866) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID6487866
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)NC1(C(=O)NCC2CCCO2)CCCCC1
InChIInChI=1S/C19H26FN3O3/c20-14-6-4-7-15(12-14)22-18(25)23-19(9-2-1-3-10-19)17(24)21-13-16-8-5-11-26-16/h4,6-7,12,16H,1-3,5,8-11,13H2,(H,21,24)(H2,22,23,25)
InChIKeyPSEKBSIGGYVXJR-UHFFFAOYSA-N
XLogP2.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 6487866) is 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is O=C(Nc1cccc(F)c1)NC1(C(=O)NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is PSEKBSIGGYVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c20-14-6-4-7-15(12-14)22-18(25)23-19(9-2-1-3-10-19)17(24)21-13-16-8-5-11-26-16/h4,6-7,12,16H,1-3,5,8-11,13H2,(H,21,24)(H2,22,23,25).
What are the key properties of 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 6487866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).