2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

C12H14BrF3N2O — CID 79804996

IUPAC2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H14BrF3N2O/c1-11(17,12(14,15)16)10(19)18(2)7-8-4-3-5-9(13)6-8/h3-6H,7,17H2,1-2H3
InChIKeyOOISUZGUKHPNSA-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79804996) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79804996
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC Name2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H14BrF3N2O/c1-11(17,12(14,15)16)10(19)18(2)7-8-4-3-5-9(13)6-8/h3-6H,7,17H2,1-2H3
InChIKeyOOISUZGUKHPNSA-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114285595
2-[[(3-bromophenyl)methyl-methylcarbamoyl]-tert-butylamino]acetic acid
CID 79263968
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
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2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
(3-bromophenyl)methyl-tert-butylcarbamic acid
CID 66590853
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
4-[(3-bromophenyl)methyl-methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61040689
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79804996) is 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is CN(Cc1cccc(Br)c1)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The InChIKey is OOISUZGUKHPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c1-11(17,12(14,15)16)10(19)18(2)7-8-4-3-5-9(13)6-8/h3-6H,7,17H2,1-2H3.
What are the key properties of 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 339.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is sourced from PubChem (CID 79804996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).