2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide

C10H11Cl2N5O — CID 66189867

IUPAC2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide
SMILES[N-]=[N+]=NCCNC(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N5O/c11-7-2-1-6(5-8(7)12)9(10(13)18)15-3-4-16-17-14/h1-2,5,9,15H,3-4H2,(H2,13,18)
InChIKeyDYJJNTAVBXBNME-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.42
Rot. Bonds6

About 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide

2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 66189867) has the molecular formula C10H11Cl2N5O and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide
PubChem CID66189867
Molecular FormulaC10H11Cl2N5O
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide
SMILES[N-]=[N+]=NCCNC(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N5O/c11-7-2-1-6(5-8(7)12)9(10(13)18)15-3-4-16-17-14/h1-2,5,9,15H,3-4H2,(H2,13,18)
InChIKeyDYJJNTAVBXBNME-UHFFFAOYSA-N
XLogP2.42
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-azidopropylamino)-2-(3,4-dichlorophenyl)acetate
CID 66190326
2-(2-azidoethylamino)-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81144933
methyl 2-(3-azidopropylamino)-2-(4-chloro-3-fluorophenyl)acetate
CID 66190499
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
ethyl 2-(2-azidoethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 66190428
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 106817617
2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189404
2-(2-azidoethylamino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81436762
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
2-(2-azidoethylamino)-2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 66188672
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide (CID 66189867) is 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide is [N-]=[N+]=NCCNC(C(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is DYJJNTAVBXBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5O/c11-7-2-1-6(5-8(7)12)9(10(13)18)15-3-4-16-17-14/h1-2,5,9,15H,3-4H2,(H2,13,18).
What are the key properties of 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide?
2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 288.14 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 66189867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).