N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide

C19H22F3NO3 — CID 59290535

IUPACN-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC(C2CCCCC2)C(F)(F)F)cc1OC
InChIInChI=1S/C19H22F3NO3/c1-3-11-26-15-10-9-14(12-16(15)25-2)18(24)23-17(19(20,21)22)13-7-5-4-6-8-13/h1,9-10,12-13,17H,4-8,11H2,2H3,(H,23,24)
InChIKeyCOUKLPLSMGYAJO-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.95
Rot. Bonds6

About N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide (PubChem CID 59290535) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide
PubChem CID59290535
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC(C2CCCCC2)C(F)(F)F)cc1OC
InChIInChI=1S/C19H22F3NO3/c1-3-11-26-15-10-9-14(12-16(15)25-2)18(24)23-17(19(20,21)22)13-7-5-4-6-8-13/h1,9-10,12-13,17H,4-8,11H2,2H3,(H,23,24)
InChIKeyCOUKLPLSMGYAJO-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide 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-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 57445676
N-(3,3-dimethylbutan-2-yl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59301808
N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290503
N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 18421765
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
CID 95975281
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445710
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 59949375

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide (CID 59290535) is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NC(C2CCCCC2)C(F)(F)F)cc1OC.
What is the InChIKey of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The InChIKey is COUKLPLSMGYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3/c1-3-11-26-15-10-9-14(12-16(15)25-2)18(24)23-17(19(20,21)22)13-7-5-4-6-8-13/h1,9-10,12-13,17H,4-8,11H2,2H3,(H,23,24).
What are the key properties of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide?
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide has a molecular weight of 369.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 59290535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).