2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide

C14H20ClN3O — CID 79851030

IUPAC2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C14H20ClN3O/c1-18(2)13-10(15)5-3-6-11(13)17-12(19)9-14(16)7-4-8-14/h3,5-6H,4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyJSBJVFPDJDWTFY-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.62
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide

2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide (PubChem CID 79851030) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
PubChem CID79851030
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C14H20ClN3O/c1-18(2)13-10(15)5-3-6-11(13)17-12(19)9-14(16)7-4-8-14/h3,5-6H,4,7-9,16H2,1-2H3,(H,17,19)
InChIKeyJSBJVFPDJDWTFY-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 64686310
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853978
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
CID 64676889
N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 46485457
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
CID 79842932

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide (CID 79851030) is 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide is CN(C)c1c(Cl)cccc1NC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide?
The InChIKey is JSBJVFPDJDWTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(2)13-10(15)5-3-6-11(13)17-12(19)9-14(16)7-4-8-14/h3,5-6H,4,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide?
2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 79851030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).