3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride

C18H21ClF2N2O2 — CID 119949678

IUPAC3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)CC(N)c1ccccc1)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-12(14-9-5-6-10-16(14)24-18(19)20)22-17(23)11-15(21)13-7-3-2-4-8-13;/h2-10,12,15,18H,11,21H2,1H3,(H,22,23);1H
InChIKeyXTAMVFJYRXHKGY-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.98
Rot. Bonds7

About 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119949678) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119949678
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)CC(N)c1ccccc1)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-12(14-9-5-6-10-16(14)24-18(19)20)22-17(23)11-15(21)13-7-3-2-4-8-13;/h2-10,12,15,18H,11,21H2,1H3,(H,22,23);1H
InChIKeyXTAMVFJYRXHKGY-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride (CID 119949678) is 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride is CC(NC(=O)CC(N)c1ccccc1)c1ccccc1OC(F)F.Cl.
What is the InChIKey of 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is XTAMVFJYRXHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c1-12(14-9-5-6-10-16(14)24-18(19)20)22-17(23)11-15(21)13-7-3-2-4-8-13;/h2-10,12,15,18H,11,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).