3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride

C18H22ClFN2O — CID 119952335

IUPAC3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-13-11-16(19)8-7-14(13)9-10-21-18(22)12-17(20)15-5-3-2-4-6-15;/h2-8,11,17H,9-10,12,20H2,1H3,(H,21,22);1H
InChIKeyDCEBCEWTSHIULQ-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.30
Rot. Bonds6

About 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952335) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119952335
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-13-11-16(19)8-7-14(13)9-10-21-18(22)12-17(20)15-5-3-2-4-6-15;/h2-8,11,17H,9-10,12,20H2,1H3,(H,21,22);1H
InChIKeyDCEBCEWTSHIULQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112697844
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide
CID 103831842
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119952335) is 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride is Cc1cc(F)ccc1CCNC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is DCEBCEWTSHIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-13-11-16(19)8-7-14(13)9-10-21-18(22)12-17(20)15-5-3-2-4-6-15;/h2-8,11,17H,9-10,12,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).