7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride

C17H26BrClN2O — CID 119744837

IUPAC7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C17H25BrN2O.ClH/c18-15-8-5-7-14(13-15)17(10-6-11-17)20-16(21)9-3-1-2-4-12-19;/h5,7-8,13H,1-4,6,9-12,19H2,(H,20,21);1H
InChIKeyISFPRIHDCSJFSS-UHFFFAOYSA-N
MW389.77 g/mol
LogP4.28
Rot. Bonds8

About 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride

7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride (PubChem CID 119744837) has the molecular formula C17H26BrClN2O and a molecular weight of 389.77 g/mol. Its IUPAC name is 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
PubChem CID119744837
Molecular FormulaC17H26BrClN2O
Molecular Weight389.77 g/mol
Exact Mass388.09
IUPAC Name7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C17H25BrN2O.ClH/c18-15-8-5-7-14(13-15)17(10-6-11-17)20-16(21)9-3-1-2-4-12-19;/h5,7-8,13H,1-4,6,9-12,19H2,(H,20,21);1H
InChIKeyISFPRIHDCSJFSS-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 54.28
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

7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
CID 119740974
7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
CID 119815402
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55983342
N-[1-(3-bromophenyl)cyclopropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800393
N-[1-(3-bromophenyl)cyclobutyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55982191
5-[[1-(3-bromophenyl)cyclohexyl]amino]pentanoic acid
CID 122121818
N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
CID 51090736
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride (CID 119744837) is 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride?
The InChIKey is ISFPRIHDCSJFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O.ClH/c18-15-8-5-7-14(13-15)17(10-6-11-17)20-16(21)9-3-1-2-4-12-19;/h5,7-8,13H,1-4,6,9-12,19H2,(H,20,21);1H.
What are the key properties of 7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride?
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 4.28, 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-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride is sourced from PubChem (CID 119744837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).