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

C13H16BrClF2N2O2 — CID 76887594

IUPAC2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C13H16BrClF2N2O2/c1-13(2,3)10(18)11(20)19-8-5-6(15)4-7(14)9(8)21-12(16)17/h4-5,10,12H,18H2,1-3H3,(H,19,20)
InChIKeyQFVNFMQDUIYTCH-UHFFFAOYSA-N
MW385.64 g/mol
LogP4.02
Rot. Bonds4

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

2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide (PubChem CID 76887594) has the molecular formula C13H16BrClF2N2O2 and a molecular weight of 385.64 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
PubChem CID76887594
Molecular FormulaC13H16BrClF2N2O2
Molecular Weight385.64 g/mol
Exact Mass384.01
IUPAC Name2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C13H16BrClF2N2O2/c1-13(2,3)10(18)11(20)19-8-5-6(15)4-7(14)9(8)21-12(16)17/h4-5,10,12H,18H2,1-3H3,(H,19,20)
InChIKeyQFVNFMQDUIYTCH-UHFFFAOYSA-N
XLogP4.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 61180758
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
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
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
3-[3-bromo-5-chloro-2-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81411115
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide (CID 76887594) is 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The InChIKey is QFVNFMQDUIYTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClF2N2O2/c1-13(2,3)10(18)11(20)19-8-5-6(15)4-7(14)9(8)21-12(16)17/h4-5,10,12H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide has a molecular weight of 385.64 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76887594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).