2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide

C16H21ClN2O2 — CID 113162520

IUPAC2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-12(20)19(10-13-6-2-5-9-15(13)17)11-16(21)18-14-7-3-4-8-14/h2,5-6,9,14H,3-4,7-8,10-11H2,1H3,(H,18,21)
InChIKeyHOXQIQXPHAOPDJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.75
Rot. Bonds5

About 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide (PubChem CID 113162520) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
PubChem CID113162520
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-12(20)19(10-13-6-2-5-9-15(13)17)11-16(21)18-14-7-3-4-8-14/h2,5-6,9,14H,3-4,7-8,10-11H2,1H3,(H,18,21)
InChIKeyHOXQIQXPHAOPDJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113054788
2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113163426
1-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-methylthiourea
CID 116507608
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113054795
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 113162681
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
2-[[2-[(R)-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 98091890
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113162608

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide (CID 113162520) is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide is CC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide?
The InChIKey is HOXQIQXPHAOPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12(20)19(10-13-6-2-5-9-15(13)17)11-16(21)18-14-7-3-4-8-14/h2,5-6,9,14H,3-4,7-8,10-11H2,1H3,(H,18,21).
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide?
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide has a molecular weight of 308.81 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide is sourced from PubChem (CID 113162520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).