7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride

C15H23ClF2N2O2 — CID 119689633

IUPAC7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2.ClH/c16-15(17)21-13-8-6-12(7-9-13)11-19-14(20)5-3-1-2-4-10-18;/h6-9,15H,1-5,10-11,18H2,(H,19,20);1H
InChIKeyJYRUEBRNDADRHM-UHFFFAOYSA-N
MW336.81 g/mol
LogP3.24
Rot. Bonds10

About 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride

7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride (PubChem CID 119689633) has the molecular formula C15H23ClF2N2O2 and a molecular weight of 336.81 g/mol. Its IUPAC name is 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
PubChem CID119689633
Molecular FormulaC15H23ClF2N2O2
Molecular Weight336.81 g/mol
Exact Mass336.14
IUPAC Name7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2.ClH/c16-15(17)21-13-8-6-12(7-9-13)11-19-14(20)5-3-1-2-4-10-18;/h6-9,15H,1-5,10-11,18H2,(H,19,20);1H
InChIKeyJYRUEBRNDADRHM-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.81
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
CID 119725132
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46671165
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride (CID 119689633) is 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride?
The InChIKey is JYRUEBRNDADRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2.ClH/c16-15(17)21-13-8-6-12(7-9-13)11-19-14(20)5-3-1-2-4-10-18;/h6-9,15H,1-5,10-11,18H2,(H,19,20);1H.
What are the key properties of 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride?
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride has a molecular weight of 336.81 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119689633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).