3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C14H17F3N2O — CID 60842789

IUPAC3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCNC1CC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-19-13(20)6-7-18-12-4-5-12/h1-3,8,12,18H,4-7,9H2,(H,19,20)
InChIKeyFHDJAYCCDSVOQC-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.46
Rot. Bonds6

About 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 60842789) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID60842789
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCNC1CC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-19-13(20)6-7-18-12-4-5-12/h1-3,8,12,18H,4-7,9H2,(H,19,20)
InChIKeyFHDJAYCCDSVOQC-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107218439
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
4-[3-[3-(trifluoromethyl)phenyl]propylamino]cyclohexane-1-carboxylic acid
CID 122030753
3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18267708
2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
CID 5078279
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18105827
3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 25461302

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 60842789) is 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCNC1CC1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FHDJAYCCDSVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-19-13(20)6-7-18-12-4-5-12/h1-3,8,12,18H,4-7,9H2,(H,19,20).
What are the key properties of 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 286.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 60842789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).