3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide

C15H28FNO2 — CID 143043741

IUPAC3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide
SMILESCCCC(CCC)NC(=O)C1CCC(OC)C(F)C1
InChIInChI=1S/C15H28FNO2/c1-4-6-12(7-5-2)17-15(18)11-8-9-14(19-3)13(16)10-11/h11-14H,4-10H2,1-3H3,(H,17,18)
InChIKeyQALZYZDDPSCMNY-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.22
Rot. Bonds7

About 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide

3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide (PubChem CID 143043741) has the molecular formula C15H28FNO2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide
PubChem CID143043741
Molecular FormulaC15H28FNO2
Molecular Weight273.39 g/mol
Exact Mass273.21
IUPAC Name3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide
SMILESCCCC(CCC)NC(=O)C1CCC(OC)C(F)C1
InChIInChI=1S/C15H28FNO2/c1-4-6-12(7-5-2)17-15(18)11-8-9-14(19-3)13(16)10-11/h11-14H,4-10H2,1-3H3,(H,17,18)
InChIKeyQALZYZDDPSCMNY-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide (CID 143043741) is 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide is CCCC(CCC)NC(=O)C1CCC(OC)C(F)C1.
What is the InChIKey of 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide?
The InChIKey is QALZYZDDPSCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO2/c1-4-6-12(7-5-2)17-15(18)11-8-9-14(19-3)13(16)10-11/h11-14H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide?
3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide has a molecular weight of 273.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-heptan-4-yl-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 143043741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).