N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide

C16H22F2N2O — CID 43319379

IUPACN-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
SMILESNCCCN(C(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C16H22F2N2O/c17-12-7-8-15(18)14(11-12)16(21)20(10-4-9-19)13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,19H2
InChIKeyLIUIFYZYNCHWRF-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.09
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide

N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide (PubChem CID 43319379) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
PubChem CID43319379
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
SMILESNCCCN(C(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C16H22F2N2O/c17-12-7-8-15(18)14(11-12)16(21)20(10-4-9-19)13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,19H2
InChIKeyLIUIFYZYNCHWRF-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide (CID 43319379) is N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide is NCCCN(C(=O)c1cc(F)ccc1F)C1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide?
The InChIKey is LIUIFYZYNCHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-12-7-8-15(18)14(11-12)16(21)20(10-4-9-19)13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,19H2.
What are the key properties of N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide?
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide has a molecular weight of 296.36 g/mol, XLogP of 3.09, 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-cyclohexyl-2,5-difluorobenzamide is sourced from PubChem (CID 43319379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).