2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide

C10H10Cl2N2O2 — CID 43146029

IUPAC2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)NC(=O)CCl
InChIInChI=1S/C10H10Cl2N2O2/c1-6-7(12)3-2-4-8(6)13-10(16)14-9(15)5-11/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyNJPLLHNKDHDEDE-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide

2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide (PubChem CID 43146029) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
PubChem CID43146029
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)NC(=O)CCl
InChIInChI=1S/C10H10Cl2N2O2/c1-6-7(12)3-2-4-8(6)13-10(16)14-9(15)5-11/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyNJPLLHNKDHDEDE-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.54
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

1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931571
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxybutanoyl]amino]urea
CID 7477338

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide (CID 43146029) is 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide is Cc1c(Cl)cccc1NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide?
The InChIKey is NJPLLHNKDHDEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-6-7(12)3-2-4-8(6)13-10(16)14-9(15)5-11/h2-4H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide?
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide has a molecular weight of 261.11 g/mol, XLogP of 2.54, 2 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-2-methylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 43146029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).