7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride

C16H24ClFN2O — CID 119796456

IUPAC7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O.ClH/c17-14-8-5-4-7-13(14)16(10-11-16)19-15(20)9-3-1-2-6-12-18;/h4-5,7-8H,1-3,6,9-12,18H2,(H,19,20);1H
InChIKeyCAEVNFUQNICDJY-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.26
Rot. Bonds8

About 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride

7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride (PubChem CID 119796456) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
PubChem CID119796456
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O.ClH/c17-14-8-5-4-7-13(14)16(10-11-16)19-15(20)9-3-1-2-6-12-18;/h4-5,7-8H,1-3,6,9-12,18H2,(H,19,20);1H
InChIKeyCAEVNFUQNICDJY-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
CID 110480254
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
5-[[1-(2-fluorophenyl)cyclopentyl]amino]-5-oxopentanoic acid
CID 110442663
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide
CID 110450787
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
CID 119815402
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
N-[1-(2-fluorophenyl)cyclopropyl]-2-pyridin-3-ylacetamide
CID 110468072
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide
CID 46963790

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride (CID 119796456) is 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC1(c2ccccc2F)CC1.
What is the InChIKey of 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride?
The InChIKey is CAEVNFUQNICDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c17-14-8-5-4-7-13(14)16(10-11-16)19-15(20)9-3-1-2-6-12-18;/h4-5,7-8H,1-3,6,9-12,18H2,(H,19,20);1H.
What are the key properties of 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride?
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride is sourced from PubChem (CID 119796456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).