N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

C16H18F6N2O — CID 2817597

IUPACN-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESO=C(NC(NC1CCCCC1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H18F6N2O/c17-15(18,19)14(16(20,21)22,23-12-9-5-2-6-10-12)24-13(25)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2,(H,24,25)
InChIKeyHZJBPJBJFMQMGW-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.16
Rot. Bonds4

About N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (PubChem CID 2817597) has the molecular formula C16H18F6N2O and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
PubChem CID2817597
Molecular FormulaC16H18F6N2O
Molecular Weight368.32 g/mol
Exact Mass368.13
IUPAC NameN-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESO=C(NC(NC1CCCCC1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H18F6N2O/c17-15(18,19)14(16(20,21)22,23-12-9-5-2-6-10-12)24-13(25)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2,(H,24,25)
InChIKeyHZJBPJBJFMQMGW-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide 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 N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The IUPAC name of N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (CID 2817597) is N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is O=C(NC(NC1CCCCC1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The InChIKey is HZJBPJBJFMQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2O/c17-15(18,19)14(16(20,21)22,23-12-9-5-2-6-10-12)24-13(25)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2,(H,24,25).
What are the key properties of N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide has a molecular weight of 368.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is sourced from PubChem (CID 2817597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).