2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride

C12H16Cl2F2N2O3 — CID 120991501

IUPAC2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cc(Cl)ccc1OC(F)F.Cl
InChIInChI=1S/C12H15ClF2N2O3.ClH/c1-19-6-9(16)11(18)17-5-7-4-8(13)2-3-10(7)20-12(14)15;/h2-4,9,12H,5-6,16H2,1H3,(H,17,18);1H
InChIKeyGPZDKZUBQYMELG-UHFFFAOYSA-N
MW345.17 g/mol
LogP1.95
Rot. Bonds7

About 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120991501) has the molecular formula C12H16Cl2F2N2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120991501
Molecular FormulaC12H16Cl2F2N2O3
Molecular Weight345.17 g/mol
Exact Mass344.05
IUPAC Name2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cc(Cl)ccc1OC(F)F.Cl
InChIInChI=1S/C12H15ClF2N2O3.ClH/c1-19-6-9(16)11(18)17-5-7-4-8(13)2-3-10(7)20-12(14)15;/h2-4,9,12H,5-6,16H2,1H3,(H,17,18);1H
InChIKeyGPZDKZUBQYMELG-UHFFFAOYSA-N
XLogP1.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119813958
2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992652
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715328
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride (CID 120991501) is 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCc1cc(Cl)ccc1OC(F)F.Cl.
What is the InChIKey of 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is GPZDKZUBQYMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3.ClH/c1-19-6-9(16)11(18)17-5-7-4-8(13)2-3-10(7)20-12(14)15;/h2-4,9,12H,5-6,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 345.17 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120991501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).