N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide

C17H25ClN2O — CID 12862574

IUPACN-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide
SMILESCCC(=O)N(c1ccc(C)c(Cl)c1)C1CCCC1N(C)C
InChIInChI=1S/C17H25ClN2O/c1-5-17(21)20(13-10-9-12(2)14(18)11-13)16-8-6-7-15(16)19(3)4/h9-11,15-16H,5-8H2,1-4H3
InChIKeyVDATVGMZJLMGQD-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.87
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide

N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide (PubChem CID 12862574) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide
PubChem CID12862574
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide
SMILESCCC(=O)N(c1ccc(C)c(Cl)c1)C1CCCC1N(C)C
InChIInChI=1S/C17H25ClN2O/c1-5-17(21)20(13-10-9-12(2)14(18)11-13)16-8-6-7-15(16)19(3)4/h9-11,15-16H,5-8H2,1-4H3
InChIKeyVDATVGMZJLMGQD-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide (CID 12862574) is N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide is CCC(=O)N(c1ccc(C)c(Cl)c1)C1CCCC1N(C)C.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide?
The InChIKey is VDATVGMZJLMGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-5-17(21)20(13-10-9-12(2)14(18)11-13)16-8-6-7-15(16)19(3)4/h9-11,15-16H,5-8H2,1-4H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide?
N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide has a molecular weight of 308.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide is sourced from PubChem (CID 12862574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).