3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide

C11H10F6N2O — CID 170875789

IUPAC3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F6N2O/c12-10(13,14)5-1-2-6(8(18)4-9(19)20)7(3-5)11(15,16)17/h1-3,8H,4,18H2,(H2,19,20)
InChIKeyAWKBJNROLMWXNI-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide

3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide (PubChem CID 170875789) has the molecular formula C11H10F6N2O and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide
PubChem CID170875789
Molecular FormulaC11H10F6N2O
Molecular Weight300.20 g/mol
Exact Mass300.07
IUPAC Name3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F6N2O/c12-10(13,14)5-1-2-6(8(18)4-9(19)20)7(3-5)11(15,16)17/h1-3,8H,4,18H2,(H2,19,20)
InChIKeyAWKBJNROLMWXNI-UHFFFAOYSA-N
XLogP2.60
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222
ethyl (3S)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propanoate
CID 171228454
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
methyl (3R)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propanoate
CID 171249314
ethyl (3R)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171208871
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]but-3-en-1-amine;hydrochloride
CID 171210234
(3S)-3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79015985
3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79021947

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide (CID 170875789) is 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide is NC(=O)CC(N)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide?
The InChIKey is AWKBJNROLMWXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O/c12-10(13,14)5-1-2-6(8(18)4-9(19)20)7(3-5)11(15,16)17/h1-3,8H,4,18H2,(H2,19,20).
What are the key properties of 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide?
3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 170875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).