3-amino-3-[4-(trifluoromethyl)phenyl]propanamide

C10H11F3N2O — CID 43147959

IUPAC3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16)
InChIKeyYMZXNAGWZHBHHG-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide

3-amino-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 43147959) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID43147959
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16)
InChIKeyYMZXNAGWZHBHHG-UHFFFAOYSA-N
XLogP1.58
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide
CID 170875789
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86315213
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 105005965
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
3,5-diamino-4-[4-(trifluoromethyl)phenyl]heptanedioic acid
CID 170872841
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide (CID 43147959) is 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide is NC(=O)CC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YMZXNAGWZHBHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16).
What are the key properties of 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide?
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 232.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 43147959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).