N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide

C15H21FN2O — CID 63755708

IUPACN-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)C2CCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c1-11-6-7-12(10-14(11)16)15(19)18(9-8-17)13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,17H2,1H3
InChIKeyUSUWLBRSUOONPE-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.48
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide

N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide (PubChem CID 63755708) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
PubChem CID63755708
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)C2CCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c1-11-6-7-12(10-14(11)16)15(19)18(9-8-17)13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,17H2,1H3
InChIKeyUSUWLBRSUOONPE-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 63754982
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide (CID 63755708) is N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N(CCN)C2CCCC2)cc1F.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide?
The InChIKey is USUWLBRSUOONPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-6-7-12(10-14(11)16)15(19)18(9-8-17)13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide?
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide has a molecular weight of 264.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 63755708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).