N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide

C20H29FN2O2 — CID 45484677

IUPACN-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24)
InChIKeySKKAXSRZRMJLJV-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.73
Rot. Bonds4

About N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide

N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 45484677) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
PubChem CID45484677
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24)
InChIKeySKKAXSRZRMJLJV-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide (CID 45484677) is N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide is Cc1cc(F)c(NC(=O)C2CCCCC2C)cc1CN1CCOCC1.
What is the InChIKey of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is SKKAXSRZRMJLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 45484677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).