3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide

C12H15F3N2O — CID 119343965

IUPAC3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-4-9-2-1-3-10(8-9)17-11(18)5-7-16/h1-3,8H,4-7,16H2,(H,17,18)
InChIKeyCVVDRPXCFAEMAF-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide

3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide (PubChem CID 119343965) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
PubChem CID119343965
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-4-9-2-1-3-10(8-9)17-11(18)5-7-16/h1-3,8H,4-7,16H2,(H,17,18)
InChIKeyCVVDRPXCFAEMAF-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638651
2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
CID 65349861
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
CID 86805127
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406
2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 120669180
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
(2S)-2-amino-4-methylsulfanyl-N-[3-(3,3,3-trifluoropropyl)phenyl]butanamide;hydrochloride
CID 119343972
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819374

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide (CID 119343965) is 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide is NCCC(=O)Nc1cccc(CCC(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide?
The InChIKey is CVVDRPXCFAEMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)6-4-9-2-1-3-10(8-9)17-11(18)5-7-16/h1-3,8H,4-7,16H2,(H,17,18).
What are the key properties of 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide?
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide is sourced from PubChem (CID 119343965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).