2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide

C11H12Cl2N2O2 — CID 108571462

IUPAC2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
SMILESO=C(CCl)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-10(16)14-5-6-15-11(17)8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,14,16)(H,15,17)
InChIKeyAOMCHCPBIQJMTO-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.42
Rot. Bonds5

About 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide

2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide (PubChem CID 108571462) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
PubChem CID108571462
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
SMILESO=C(CCl)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-10(16)14-5-6-15-11(17)8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,14,16)(H,15,17)
InChIKeyAOMCHCPBIQJMTO-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
2-chloro-N-(3-methylbutyl)benzamide
CID 669760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide (CID 108571462) is 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide is O=C(CCl)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
The InChIKey is AOMCHCPBIQJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-7-10(16)14-5-6-15-11(17)8-3-1-2-4-9(8)13/h1-4H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide has a molecular weight of 275.13 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108571462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).