2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

C14H18Cl2N2O — CID 79854549

IUPAC2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-9(10-3-4-11(15)12(16)7-10)18-13(19)8-14(17)5-2-6-14/h3-4,7,9H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyCVDXEOCMXNXHEB-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.44
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (PubChem CID 79854549) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
PubChem CID79854549
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-9(10-3-4-11(15)12(16)7-10)18-13(19)8-14(17)5-2-6-14/h3-4,7,9H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyCVDXEOCMXNXHEB-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
2-(1-aminocyclobutyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 79843533
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247
2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
2-(1-aminocyclohexyl)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 64684603
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81405144
2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 64683625
2-(1-aminocyclopentyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81363183
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (CID 79854549) is 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)CC1(N)CCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is CVDXEOCMXNXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(10-3-4-11(15)12(16)7-10)18-13(19)8-14(17)5-2-6-14/h3-4,7,9H,2,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 301.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 79854549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).