2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide

C16H23ClN2O — CID 64684681

IUPAC2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CC1(N)CCCC1
InChIInChI=1S/C16H23ClN2O/c1-2-19(12-13-6-5-7-14(17)10-13)15(20)11-16(18)8-3-4-9-16/h5-7,10H,2-4,8-9,11-12,18H2,1H3
InChIKeySHBWGNVTXPTZPW-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.35
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide

2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide (PubChem CID 64684681) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
PubChem CID64684681
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CC1(N)CCCC1
InChIInChI=1S/C16H23ClN2O/c1-2-19(12-13-6-5-7-14(17)10-13)15(20)11-16(18)8-3-4-9-16/h5-7,10H,2-4,8-9,11-12,18H2,1H3
InChIKeySHBWGNVTXPTZPW-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
CID 79851579
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide (CID 64684681) is 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide is CCN(Cc1cccc(Cl)c1)C(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
The InChIKey is SHBWGNVTXPTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-19(12-13-6-5-7-14(17)10-13)15(20)11-16(18)8-3-4-9-16/h5-7,10H,2-4,8-9,11-12,18H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide has a molecular weight of 294.83 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 64684681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).