7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride

C19H22ClF3N2O — CID 119813719

IUPAC7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H21F3N2O.ClH/c20-15-11-13(12-16(21)19(15)22)14-7-4-5-8-17(14)24-18(25)9-3-1-2-6-10-23;/h4-5,7-8,11-12H,1-3,6,9-10,23H2,(H,24,25);1H
InChIKeyDAUKBINOZTZZCX-UHFFFAOYSA-N
MW386.85 g/mol
LogP5.04
Rot. Bonds8

About 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride

7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride (PubChem CID 119813719) has the molecular formula C19H22ClF3N2O and a molecular weight of 386.85 g/mol. Its IUPAC name is 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride
PubChem CID119813719
Molecular FormulaC19H22ClF3N2O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC Name7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H21F3N2O.ClH/c20-15-11-13(12-16(21)19(15)22)14-7-4-5-8-17(14)24-18(25)9-3-1-2-6-10-23;/h4-5,7-8,11-12H,1-3,6,9-10,23H2,(H,24,25);1H
InChIKeyDAUKBINOZTZZCX-UHFFFAOYSA-N
XLogP5.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.85
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
6-amino-N-(2-methylsulfanylphenyl)hexanamide
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CID 119670519
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
CID 119753331
N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide
CID 25032062
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119340819

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride (CID 119813719) is 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride?
The InChIKey is DAUKBINOZTZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O.ClH/c20-15-11-13(12-16(21)19(15)22)14-7-4-5-8-17(14)24-18(25)9-3-1-2-6-10-23;/h4-5,7-8,11-12H,1-3,6,9-10,23H2,(H,24,25);1H.
What are the key properties of 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride?
7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride has a molecular weight of 386.85 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119813719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).