N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide

C15H21ClN2O — CID 119776374

IUPACN-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C15H21ClN2O/c1-17-10-15(19)18(13-7-3-4-8-13)11-12-6-2-5-9-14(12)16/h2,5-6,9,13,17H,3-4,7-8,10-11H2,1H3
InChIKeyBHKPYNFHYHAWMR-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.83
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide

N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide (PubChem CID 119776374) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
PubChem CID119776374
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C15H21ClN2O/c1-17-10-15(19)18(13-7-3-4-8-13)11-12-6-2-5-9-14(12)16/h2,5-6,9,13,17H,3-4,7-8,10-11H2,1H3
InChIKeyBHKPYNFHYHAWMR-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide (CID 119776374) is N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide is CNCC(=O)N(Cc1ccccc1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide?
The InChIKey is BHKPYNFHYHAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-10-15(19)18(13-7-3-4-8-13)11-12-6-2-5-9-14(12)16/h2,5-6,9,13,17H,3-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide?
N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide has a molecular weight of 280.80 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide is sourced from PubChem (CID 119776374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).