3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride

C19H23ClF2N2O3 — CID 119951056

IUPAC3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1OC(F)F.Cl
InChIInChI=1S/C19H22F2N2O3.ClH/c1-25-16-8-7-13(11-17(16)26-19(20)21)9-10-23-18(24)12-15(22)14-5-3-2-4-6-14;/h2-8,11,15,19H,9-10,12,22H2,1H3,(H,23,24);1H
InChIKeyICMLZZIHGWPTKP-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.47
Rot. Bonds9

About 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951056) has the molecular formula C19H23ClF2N2O3 and a molecular weight of 400.85 g/mol. Its IUPAC name is 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119951056
Molecular FormulaC19H23ClF2N2O3
Molecular Weight400.85 g/mol
Exact Mass400.14
IUPAC Name3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1OC(F)F.Cl
InChIInChI=1S/C19H22F2N2O3.ClH/c1-25-16-8-7-13(11-17(16)26-19(20)21)9-10-23-18(24)12-15(22)14-5-3-2-4-6-14;/h2-8,11,15,19H,9-10,12,22H2,1H3,(H,23,24);1H
InChIKeyICMLZZIHGWPTKP-UHFFFAOYSA-N
XLogP3.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
2-(cyclopropylmethylamino)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]acetamide;hydrochloride
CID 119767848
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111096788
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride (CID 119951056) is 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride is COc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1OC(F)F.Cl.
What is the InChIKey of 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is ICMLZZIHGWPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3.ClH/c1-25-16-8-7-13(11-17(16)26-19(20)21)9-10-23-18(24)12-15(22)14-5-3-2-4-6-14;/h2-8,11,15,19H,9-10,12,22H2,1H3,(H,23,24);1H.
What are the key properties of 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 400.85 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).