N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide

C10H10Cl2N2O2 — CID 167791626

IUPACN-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)CCl
InChIInChI=1S/C10H10Cl2N2O2/c1-6(15)13-9-4-7(12)2-3-8(9)14-10(16)5-11/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyCIMOOSUZWHNYCE-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.48
Rot. Bonds3

About N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide

N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide (PubChem CID 167791626) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
PubChem CID167791626
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC NameN-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)CCl
InChIInChI=1S/C10H10Cl2N2O2/c1-6(15)13-9-4-7(12)2-3-8(9)14-10(16)5-11/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyCIMOOSUZWHNYCE-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.48
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

N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
CID 111770376
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
CID 119310318
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide?
The IUPAC name of N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide (CID 167791626) is N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide?
The canonical SMILES for N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide is CC(=O)Nc1cc(Cl)ccc1NC(=O)CCl.
What is the InChIKey of N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide?
The InChIKey is CIMOOSUZWHNYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-6(15)13-9-4-7(12)2-3-8(9)14-10(16)5-11/h2-4H,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide?
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide has a molecular weight of 261.11 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide is sourced from PubChem (CID 167791626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).