2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

C14H18Cl2N2O — CID 42956358

IUPAC2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(12-6-3-10(15)7-13(12)16)17-14(19)8-18(2)11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyYRBQRLCYCRURBP-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.26
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 42956358) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID42956358
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9(12-6-3-10(15)7-13(12)16)17-14(19)8-18(2)11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyYRBQRLCYCRURBP-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973443
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120110
N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 55469245
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912445
2-[cyclohexyl(methyl)amino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 42913403
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102518
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 86918939
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (CID 42956358) is 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)CN(C)C1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is YRBQRLCYCRURBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(12-6-3-10(15)7-13(12)16)17-14(19)8-18(2)11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,19).
What are the key properties of 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 301.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 42956358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).