3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide

C11H12BrClF2N2O2 — CID 60836516

IUPAC3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C11H12BrClF2N2O2/c1-5(16)2-9(18)17-8-4-6(13)3-7(12)10(8)19-11(14)15/h3-5,11H,2,16H2,1H3,(H,17,18)
InChIKeyADZNWFREEOCEEU-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.38
Rot. Bonds5

About 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide

3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide (PubChem CID 60836516) has the molecular formula C11H12BrClF2N2O2 and a molecular weight of 357.58 g/mol. Its IUPAC name is 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
PubChem CID60836516
Molecular FormulaC11H12BrClF2N2O2
Molecular Weight357.58 g/mol
Exact Mass355.97
IUPAC Name3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C11H12BrClF2N2O2/c1-5(16)2-9(18)17-8-4-6(13)3-7(12)10(8)19-11(14)15/h3-5,11H,2,16H2,1H3,(H,17,18)
InChIKeyADZNWFREEOCEEU-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
CID 60847638
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 60866382
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide (CID 60836516) is 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide is CC(N)CC(=O)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide?
The InChIKey is ADZNWFREEOCEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF2N2O2/c1-5(16)2-9(18)17-8-4-6(13)3-7(12)10(8)19-11(14)15/h3-5,11H,2,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide?
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide has a molecular weight of 357.58 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 60836516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).