N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide

C13H14BrF3N2O2 — CID 107336437

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H14BrF3N2O2/c14-10-7-9(3-4-11(10)21-13(15,16)17)19-12(20)5-6-18-8-1-2-8/h3-4,7-8,18H,1-2,5-6H2,(H,19,20)
InChIKeyKJIDJUKGRIKJFA-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.43
Rot. Bonds6

About N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide

N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide (PubChem CID 107336437) has the molecular formula C13H14BrF3N2O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
PubChem CID107336437
Molecular FormulaC13H14BrF3N2O2
Molecular Weight367.17 g/mol
Exact Mass366.02
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H14BrF3N2O2/c14-10-7-9(3-4-11(10)21-13(15,16)17)19-12(20)5-6-18-8-1-2-8/h3-4,7-8,18H,1-2,5-6H2,(H,19,20)
InChIKeyKJIDJUKGRIKJFA-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 107336406
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
CID 107336414
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 107336439
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide (CID 107336437) is N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)Nc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
The InChIKey is KJIDJUKGRIKJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O2/c14-10-7-9(3-4-11(10)21-13(15,16)17)19-12(20)5-6-18-8-1-2-8/h3-4,7-8,18H,1-2,5-6H2,(H,19,20).
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide has a molecular weight of 367.17 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 107336437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).