N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide

C17H23F3N2O — CID 109031498

IUPACN-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)NC1CCCCCC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)13-6-5-9-15(12-13)21-11-10-16(23)22-14-7-3-1-2-4-8-14/h5-6,9,12,14,21H,1-4,7-8,10-11H2,(H,22,23)
InChIKeyWJUYXMHDPHKHFC-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.35
Rot. Bonds5

About N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide

N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide (PubChem CID 109031498) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
PubChem CID109031498
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)NC1CCCCCC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)13-6-5-9-15(12-13)21-11-10-16(23)22-14-7-3-1-2-4-8-14/h5-6,9,12,14,21H,1-4,7-8,10-11H2,(H,22,23)
InChIKeyWJUYXMHDPHKHFC-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide (CID 109031498) is N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide is O=C(CCNc1cccc(C(F)(F)F)c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide?
The InChIKey is WJUYXMHDPHKHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)13-6-5-9-15(12-13)21-11-10-16(23)22-14-7-3-1-2-4-8-14/h5-6,9,12,14,21H,1-4,7-8,10-11H2,(H,22,23).
What are the key properties of N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide?
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide has a molecular weight of 328.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109031498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).