2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide

C18H19F3N2O — CID 120669180

IUPAC2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O/c1-12-5-7-14(8-6-12)16(22)17(24)23-15-4-2-3-13(11-15)9-10-18(19,20)21/h2-8,11,16H,9-10,22H2,1H3,(H,23,24)
InChIKeyYIKDDZCPEFOGOY-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.13
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide

2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide (PubChem CID 120669180) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
PubChem CID120669180
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O/c1-12-5-7-14(8-6-12)16(22)17(24)23-15-4-2-3-13(11-15)9-10-18(19,20)21/h2-8,11,16H,9-10,22H2,1H3,(H,23,24)
InChIKeyYIKDDZCPEFOGOY-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668464
(2S)-2-amino-4-methylsulfanyl-N-[3-(3,3,3-trifluoropropyl)phenyl]butanamide;hydrochloride
CID 119343972
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 119343965
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120667184
2-amino-N-(3-butoxyphenyl)-2-(4-methylphenyl)acetamide
CID 120667763
2-amino-N-[3-(3-methoxypropoxy)phenyl]-2-(4-methylphenyl)acetamide
CID 120669115
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-N-(3-chloro-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312862
3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide (CID 120669180) is 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide is Cc1ccc(C(N)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide?
The InChIKey is YIKDDZCPEFOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-12-5-7-14(8-6-12)16(22)17(24)23-15-4-2-3-13(11-15)9-10-18(19,20)21/h2-8,11,16H,9-10,22H2,1H3,(H,23,24).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide is sourced from PubChem (CID 120669180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).