2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide

C10H9Cl3N2O2 — CID 4608777

IUPAC2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(NC(=O)CCl)c(Cl)c1
InChIInChI=1S/C10H9Cl3N2O2/c11-4-9(16)14-6-1-2-8(7(13)3-6)15-10(17)5-12/h1-3H,4-5H2,(H,14,16)(H,15,17)
InChIKeyJFXFXWJLQHFQKT-UHFFFAOYSA-N
MW295.55 g/mol
LogP2.69
Rot. Bonds4

About 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide

2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide (PubChem CID 4608777) has the molecular formula C10H9Cl3N2O2 and a molecular weight of 295.55 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
PubChem CID4608777
Molecular FormulaC10H9Cl3N2O2
Molecular Weight295.55 g/mol
Exact Mass293.97
IUPAC Name2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(NC(=O)CCl)c(Cl)c1
InChIInChI=1S/C10H9Cl3N2O2/c11-4-9(16)14-6-1-2-8(7(13)3-6)15-10(17)5-12/h1-3H,4-5H2,(H,14,16)(H,15,17)
InChIKeyJFXFXWJLQHFQKT-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
CID 167990561
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
N-[3-tert-butyl-4-[(2-chloroacetyl)amino]phenyl]-2-chloroacetamide
CID 18630154
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
2-chloro-N-[3-chloro-4-(2-chlorobenzoyl)phenyl]acetamide
CID 20507585
N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide
CID 7334246
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide (CID 4608777) is 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide is O=C(CCl)Nc1ccc(NC(=O)CCl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide?
The InChIKey is JFXFXWJLQHFQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O2/c11-4-9(16)14-6-1-2-8(7(13)3-6)15-10(17)5-12/h1-3H,4-5H2,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide?
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide has a molecular weight of 295.55 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 4608777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).