2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide

C14H19Cl2N3O — CID 116652760

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(CN)C1CC1
InChIInChI=1S/C14H19Cl2N3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-10-4-5-11(15)12(16)6-10/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyJZZRBEYPTZZGAK-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.60
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 116652760) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID116652760
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(CN)C1CC1
InChIInChI=1S/C14H19Cl2N3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-10-4-5-11(15)12(16)6-10/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyJZZRBEYPTZZGAK-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
CID 116652660
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 116652536
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116652517
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 116652730
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 116652601
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(1-phenylethyl)acetamide
CID 116653073
2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847741
2-[[(1R,3S)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847739
2-[[(1R,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 116652760) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is JZZRBEYPTZZGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-10-4-5-11(15)12(16)6-10/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 316.23 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 116652760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).