2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide

C13H16Cl2F2N2O2 — CID 76887947

IUPAC2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H16Cl2F2N2O2/c1-13(2,3)10(18)11(20)19-6-4-7(14)9(8(15)5-6)21-12(16)17/h4-5,10,12H,18H2,1-3H3,(H,19,20)
InChIKeyIAQMMPWDPWWJNO-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.91
Rot. Bonds4

About 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide

2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide (PubChem CID 76887947) has the molecular formula C13H16Cl2F2N2O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
PubChem CID76887947
Molecular FormulaC13H16Cl2F2N2O2
Molecular Weight341.19 g/mol
Exact Mass340.06
IUPAC Name2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H16Cl2F2N2O2/c1-13(2,3)10(18)11(20)19-6-4-7(14)9(8(15)5-6)21-12(16)17/h4-5,10,12H,18H2,1-3H3,(H,19,20)
InChIKeyIAQMMPWDPWWJNO-UHFFFAOYSA-N
XLogP3.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119810633
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
CID 103928376
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 103928303
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide (CID 76887947) is 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The InChIKey is IAQMMPWDPWWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2F2N2O2/c1-13(2,3)10(18)11(20)19-6-4-7(14)9(8(15)5-6)21-12(16)17/h4-5,10,12H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide has a molecular weight of 341.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76887947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).