N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide

C10H10Cl2N2O2 — CID 4153576

IUPACN-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide
SMILESCC(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2/c1-6(15)14(2)10(16)13-7-3-4-8(11)9(12)5-7/h3-5H,1-2H3,(H,13,16)
InChIKeyJYJORMALUFUJIN-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.00
Rot. Bonds1

About N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide

N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide (PubChem CID 4153576) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide
PubChem CID4153576
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC NameN-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide
SMILESCC(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2/c1-6(15)14(2)10(16)13-7-3-4-8(11)9(12)5-7/h3-5H,1-2H3,(H,13,16)
InChIKeyJYJORMALUFUJIN-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide (CID 4153576) is N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide is CC(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide?
The InChIKey is JYJORMALUFUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-6(15)14(2)10(16)13-7-3-4-8(11)9(12)5-7/h3-5H,1-2H3,(H,13,16).
What are the key properties of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide?
N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide has a molecular weight of 261.11 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide is sourced from PubChem (CID 4153576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).