4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride

C12H17ClF2N2O3 — CID 120586597

IUPAC4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C12H16F2N2O3.ClH/c1-18-10(7-15)6-11(17)16-8-2-4-9(5-3-8)19-12(13)14;/h2-5,10,12H,6-7,15H2,1H3,(H,16,17);1H
InChIKeyJHEKBMIQGLFLCI-UHFFFAOYSA-N
MW310.73 g/mol
LogP2.01
Rot. Bonds7

About 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120586597) has the molecular formula C12H17ClF2N2O3 and a molecular weight of 310.73 g/mol. Its IUPAC name is 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
PubChem CID120586597
Molecular FormulaC12H17ClF2N2O3
Molecular Weight310.73 g/mol
Exact Mass310.09
IUPAC Name4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C12H16F2N2O3.ClH/c1-18-10(7-15)6-11(17)16-8-2-4-9(5-3-8)19-12(13)14;/h2-5,10,12H,6-7,15H2,1H3,(H,16,17);1H
InChIKeyJHEKBMIQGLFLCI-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
CID 120592361
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
CID 120592787
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride (CID 120586597) is 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is JHEKBMIQGLFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3.ClH/c1-18-10(7-15)6-11(17)16-8-2-4-9(5-3-8)19-12(13)14;/h2-5,10,12H,6-7,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 310.73 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).