N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide

C16H22ClNO — CID 78852823

IUPACN-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CC1CCCC1
InChIInChI=1S/C16H22ClNO/c1-2-18(12-14-9-5-6-10-15(14)17)16(19)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyUXRRRWXNJNKXOS-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.27
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide

N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide (PubChem CID 78852823) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
PubChem CID78852823
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CC1CCCC1
InChIInChI=1S/C16H22ClNO/c1-2-18(12-14-9-5-6-10-15(14)17)16(19)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyUXRRRWXNJNKXOS-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119723037
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide (CID 78852823) is N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide is CCN(Cc1ccccc1Cl)C(=O)CC1CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide?
The InChIKey is UXRRRWXNJNKXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-18(12-14-9-5-6-10-15(14)17)16(19)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide?
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide has a molecular weight of 279.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide is sourced from PubChem (CID 78852823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).