N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide

C6H10Cl2N2O2 — CID 173042441

IUPACN-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide
SMILESCC(=O)N(Cl)CCNC(=O)CCl
InChIInChI=1S/C6H10Cl2N2O2/c1-5(11)10(8)3-2-9-6(12)4-7/h2-4H2,1H3,(H,9,12)
InChIKeyIJNLXDANZYLZEK-UHFFFAOYSA-N
MW213.06 g/mol
LogP0.34
Rot. Bonds4

About N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide

N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide (PubChem CID 173042441) has the molecular formula C6H10Cl2N2O2 and a molecular weight of 213.06 g/mol. Its IUPAC name is N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide
PubChem CID173042441
Molecular FormulaC6H10Cl2N2O2
Molecular Weight213.06 g/mol
Exact Mass212.01
IUPAC NameN-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide
SMILESCC(=O)N(Cl)CCNC(=O)CCl
InChIInChI=1S/C6H10Cl2N2O2/c1-5(11)10(8)3-2-9-6(12)4-7/h2-4H2,1H3,(H,9,12)
InChIKeyIJNLXDANZYLZEK-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
CID 87932132
tert-butyl N,N-bis[2-[(2-chloroacetyl)amino]ethyl]carbamate
CID 118895154
N-(2-bromoethyl)-2-chloroacetamide
CID 71407386
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
2-chloro-N-dotriacontylacetamide
CID 163206961
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide
CID 130570453
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
2-chloro-N-pent-3-ynylacetamide
CID 116643290
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide?
The IUPAC name of N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide (CID 173042441) is N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide?
The canonical SMILES for N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide is CC(=O)N(Cl)CCNC(=O)CCl.
What is the InChIKey of N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide?
The InChIKey is IJNLXDANZYLZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2N2O2/c1-5(11)10(8)3-2-9-6(12)4-7/h2-4H2,1H3,(H,9,12).
What are the key properties of N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide?
N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide has a molecular weight of 213.06 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(chloro)amino]ethyl]-2-chloroacetamide is sourced from PubChem (CID 173042441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).