N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide

C14H18BrF3N2O — CID 60851337

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c1-13(2,3)19-7-6-12(21)20-11-5-4-9(15)8-10(11)14(16,17)18/h4-5,8,19H,6-7H2,1-3H3,(H,20,21)
InChIKeyFTWOYQCRFFSGOS-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.18
Rot. Bonds4

About N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide (PubChem CID 60851337) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
PubChem CID60851337
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c1-13(2,3)19-7-6-12(21)20-11-5-4-9(15)8-10(11)14(16,17)18/h4-5,8,19H,6-7H2,1-3H3,(H,20,21)
InChIKeyFTWOYQCRFFSGOS-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264263
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide (CID 60851337) is N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide is CC(C)(C)NCCC(=O)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide?
The InChIKey is FTWOYQCRFFSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c1-13(2,3)19-7-6-12(21)20-11-5-4-9(15)8-10(11)14(16,17)18/h4-5,8,19H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide has a molecular weight of 367.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide is sourced from PubChem (CID 60851337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).