2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide

C17H25ClN2O — CID 60502680

IUPAC2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H25ClN2O/c1-12(2)13(3)19-17(21)11-20(16-8-9-16)10-14-4-6-15(18)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,19,21)
InChIKeyVSNFFQHXVFQXAZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.47
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide

2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60502680) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID60502680
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H25ClN2O/c1-12(2)13(3)19-17(21)11-20(16-8-9-16)10-14-4-6-15(18)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,19,21)
InChIKeyVSNFFQHXVFQXAZ-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
CID 55828636
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 18088736
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8916279
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154510
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 43054825
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 60502808
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide (CID 60502680) is 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is VSNFFQHXVFQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(2)13(3)19-17(21)11-20(16-8-9-16)10-14-4-6-15(18)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 308.85 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60502680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).