N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide

C17H25ClN2O — CID 3060764

IUPACN-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide
SMILESCCCCC(C(=O)Nc1c(C)cccc1Cl)N1CCCC1
InChIInChI=1S/C17H25ClN2O/c1-3-4-10-15(20-11-5-6-12-20)17(21)19-16-13(2)8-7-9-14(16)18/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,21)
InChIKeyJSFKACIDDOTYLB-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.24
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide

N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide (PubChem CID 3060764) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide
PubChem CID3060764
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide
SMILESCCCCC(C(=O)Nc1c(C)cccc1Cl)N1CCCC1
InChIInChI=1S/C17H25ClN2O/c1-3-4-10-15(20-11-5-6-12-20)17(21)19-16-13(2)8-7-9-14(16)18/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,21)
InChIKeyJSFKACIDDOTYLB-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride
CID 50986772
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
CID 24836116
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide (CID 3060764) is N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide is CCCCC(C(=O)Nc1c(C)cccc1Cl)N1CCCC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide?
The InChIKey is JSFKACIDDOTYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-4-10-15(20-11-5-6-12-20)17(21)19-16-13(2)8-7-9-14(16)18/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide?
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide has a molecular weight of 308.85 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide is sourced from PubChem (CID 3060764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).