N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide

C16H22F2N2O — CID 82798367

IUPACN-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCCN)C2CCCC2)c1F
InChIInChI=1S/C16H22F2N2O/c1-11-7-8-13(17)14(15(11)18)16(21)20(10-4-9-19)12-5-2-3-6-12/h7-8,12H,2-6,9-10,19H2,1H3
InChIKeyGIJZWWHQPVTVQC-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.01
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide

N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide (PubChem CID 82798367) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
PubChem CID82798367
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCCN)C2CCCC2)c1F
InChIInChI=1S/C16H22F2N2O/c1-11-7-8-13(17)14(15(11)18)16(21)20(10-4-9-19)12-5-2-3-6-12/h7-8,12H,2-6,9-10,19H2,1H3
InChIKeyGIJZWWHQPVTVQC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
CID 43607904
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(3-aminopropyl)-N-cyclopentyl-3-methylpyridine-2-carboxamide
CID 62338909
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide (CID 82798367) is N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)N(CCCN)C2CCCC2)c1F.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
The InChIKey is GIJZWWHQPVTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11-7-8-13(17)14(15(11)18)16(21)20(10-4-9-19)12-5-2-3-6-12/h7-8,12H,2-6,9-10,19H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide?
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 3.01, 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-cyclopentyl-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82798367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).