(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride

C14H19Cl3F2N2O2 — CID 119810633

IUPAC(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F.Cl
InChIInChI=1S/C14H18Cl2F2N2O2.ClH/c1-14(2,3)11(19)12(21)20-6-7-4-8(15)5-9(16)10(7)22-13(17)18;/h4-5,11,13H,6,19H2,1-3H3,(H,20,21);1H/t11-;/m1./s1
InChIKeyVLNLTDZRKNQUAO-RFVHGSKJSA-N
MW391.67 g/mol
LogP4.01
Rot. Bonds5

About (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119810633) has the molecular formula C14H19Cl3F2N2O2 and a molecular weight of 391.67 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119810633
Molecular FormulaC14H19Cl3F2N2O2
Molecular Weight391.67 g/mol
Exact Mass390.05
IUPAC Name(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F.Cl
InChIInChI=1S/C14H18Cl2F2N2O2.ClH/c1-14(2,3)11(19)12(21)20-6-7-4-8(15)5-9(16)10(7)22-13(17)18;/h4-5,11,13H,6,19H2,1-3H3,(H,20,21);1H/t11-;/m1./s1
InChIKeyVLNLTDZRKNQUAO-RFVHGSKJSA-N
XLogP4.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795550
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172
(2S)-2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119707921
2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977003
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride (CID 119810633) is (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F.Cl.
What is the InChIKey of (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is VLNLTDZRKNQUAO-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H18Cl2F2N2O2.ClH/c1-14(2,3)11(19)12(21)20-6-7-4-8(15)5-9(16)10(7)22-13(17)18;/h4-5,11,13H,6,19H2,1-3H3,(H,20,21);1H/t11-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 391.67 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119810633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).