7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide

C17H25BrN2O — CID 119740974

IUPAC7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
SMILESNCCCCCCC(=O)NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H25BrN2O/c18-15-9-7-14(8-10-15)17(11-5-12-17)20-16(21)6-3-1-2-4-13-19/h7-10H,1-6,11-13,19H2,(H,20,21)
InChIKeyPFQIRJROHCQZSB-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.85
Rot. Bonds8

About 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide

7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide (PubChem CID 119740974) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
PubChem CID119740974
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
SMILESNCCCCCCC(=O)NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C17H25BrN2O/c18-15-9-7-14(8-10-15)17(11-5-12-17)20-16(21)6-3-1-2-4-13-19/h7-10H,1-6,11-13,19H2,(H,20,21)
InChIKeyPFQIRJROHCQZSB-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.85
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-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
CID 119815402
4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
CID 120589748
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide (CID 119740974) is 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide is NCCCCCCC(=O)NC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide?
The InChIKey is PFQIRJROHCQZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c18-15-9-7-14(8-10-15)17(11-5-12-17)20-16(21)6-3-1-2-4-13-19/h7-10H,1-6,11-13,19H2,(H,20,21).
What are the key properties of 7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide?
7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide has a molecular weight of 353.30 g/mol, XLogP of 3.85, 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-(4-bromophenyl)cyclobutyl]heptanamide is sourced from PubChem (CID 119740974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).