N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide

C17H25FN2O — CID 43319433

IUPACN-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
SMILESNCCCN(C(=O)c1cccc(F)c1)C1CCCCCC1
InChIInChI=1S/C17H25FN2O/c18-15-8-5-7-14(13-15)17(21)20(12-6-11-19)16-9-3-1-2-4-10-16/h5,7-8,13,16H,1-4,6,9-12,19H2
InChIKeyMYOMHJOELHMDIT-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.34
Rot. Bonds5

About N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide

N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide (PubChem CID 43319433) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
PubChem CID43319433
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
SMILESNCCCN(C(=O)c1cccc(F)c1)C1CCCCCC1
InChIInChI=1S/C17H25FN2O/c18-15-8-5-7-14(13-15)17(21)20(12-6-11-19)16-9-3-1-2-4-10-16/h5,7-8,13,16H,1-4,6,9-12,19H2
InChIKeyMYOMHJOELHMDIT-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
N-(3-aminopropyl)-N-cycloheptylpyridazine-4-carboxamide
CID 104668877
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide (CID 43319433) is N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide is NCCCN(C(=O)c1cccc(F)c1)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide?
The InChIKey is MYOMHJOELHMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-15-8-5-7-14(13-15)17(21)20(12-6-11-19)16-9-3-1-2-4-10-16/h5,7-8,13,16H,1-4,6,9-12,19H2.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide?
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide has a molecular weight of 292.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide is sourced from PubChem (CID 43319433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).