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

C18H19F3N2O2 — CID 120611044

IUPAC3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1cc(NC(=O)CCc2ccccc2N)ccc1OCC(F)(F)F
InChIInChI=1S/C18H19F3N2O2/c1-12-10-14(7-8-16(12)25-11-18(19,20)21)23-17(24)9-6-13-4-2-3-5-15(13)22/h2-5,7-8,10H,6,9,11,22H2,1H3,(H,23,24)
InChIKeyYSNYCCBPOODJDA-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.09
Rot. Bonds6

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

3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 120611044) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID120611044
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1cc(NC(=O)CCc2ccccc2N)ccc1OCC(F)(F)F
InChIInChI=1S/C18H19F3N2O2/c1-12-10-14(7-8-16(12)25-11-18(19,20)21)23-17(24)9-6-13-4-2-3-5-15(13)22/h2-5,7-8,10H,6,9,11,22H2,1H3,(H,23,24)
InChIKeyYSNYCCBPOODJDA-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.09
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-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
CID 111539253
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 120611492
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
CID 120610743
N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 73056183
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 120611044) is 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide is Cc1cc(NC(=O)CCc2ccccc2N)ccc1OCC(F)(F)F.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is YSNYCCBPOODJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12-10-14(7-8-16(12)25-11-18(19,20)21)23-17(24)9-6-13-4-2-3-5-15(13)22/h2-5,7-8,10H,6,9,11,22H2,1H3,(H,23,24).
What are the key properties of 3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 352.36 g/mol, XLogP of 4.09, 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-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 120611044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).