N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

C18H21ClF2N2O2 — CID 119549007

IUPACN-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H20F2N2O2.ClH/c19-18(20)24-16-8-3-13(4-9-16)5-10-17(23)22-12-11-14-1-6-15(21)7-2-14;/h1-4,6-9,18H,5,10-12,21H2,(H,22,23);1H
InChIKeyYLSZUXUPFZJNKI-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.58
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119549007) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119549007
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H20F2N2O2.ClH/c19-18(20)24-16-8-3-13(4-9-16)5-10-17(23)22-12-11-14-1-6-15(21)7-2-14;/h1-4,6-9,18H,5,10-12,21H2,(H,22,23);1H
InChIKeyYLSZUXUPFZJNKI-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
CID 27884457
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 78848513
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (CID 119549007) is N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is YLSZUXUPFZJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c19-18(20)24-16-8-3-13(4-9-16)5-10-17(23)22-12-11-14-1-6-15(21)7-2-14;/h1-4,6-9,18H,5,10-12,21H2,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119549007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).