3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride

C18H20ClF3N2O2 — CID 120609694

IUPAC3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCc2ccccc2N)c(OCC(F)(F)F)c1.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-12-6-8-15(16(10-12)25-11-18(19,20)21)23-17(24)9-7-13-4-2-3-5-14(13)22;/h2-6,8,10H,7,9,11,22H2,1H3,(H,23,24);1H
InChIKeyRGBUCNPNFLSAIM-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.51
Rot. Bonds6

About 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride (PubChem CID 120609694) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
PubChem CID120609694
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCc2ccccc2N)c(OCC(F)(F)F)c1.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-12-6-8-15(16(10-12)25-11-18(19,20)21)23-17(24)9-7-13-4-2-3-5-14(13)22;/h2-6,8,10H,7,9,11,22H2,1H3,(H,23,24);1H
InChIKeyRGBUCNPNFLSAIM-UHFFFAOYSA-N
XLogP4.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 120611044
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60575015
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
CID 76869273

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride (CID 120609694) is 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride is Cc1ccc(NC(=O)CCc2ccccc2N)c(OCC(F)(F)F)c1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is RGBUCNPNFLSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c1-12-6-8-15(16(10-12)25-11-18(19,20)21)23-17(24)9-7-13-4-2-3-5-14(13)22;/h2-6,8,10H,7,9,11,22H2,1H3,(H,23,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120609694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).