2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide

C11H12Cl2N2O3 — CID 43146022

IUPAC2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC(=O)CCl
InChIInChI=1S/C11H12Cl2N2O3/c1-6-3-8(9(18-2)4-7(6)13)14-11(17)15-10(16)5-12/h3-4H,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyZLQSODUYZGOJMR-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.54
Rot. Bonds3

About 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide

2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide (PubChem CID 43146022) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
PubChem CID43146022
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC(=O)CCl
InChIInChI=1S/C11H12Cl2N2O3/c1-6-3-8(9(18-2)4-7(6)13)14-11(17)15-10(16)5-12/h3-4H,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyZLQSODUYZGOJMR-UHFFFAOYSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide (CID 43146022) is 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide?
The InChIKey is ZLQSODUYZGOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-6-3-8(9(18-2)4-7(6)13)14-11(17)15-10(16)5-12/h3-4H,5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide?
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide has a molecular weight of 291.13 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 43146022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).