N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide

C10H8Cl2N2O3 — CID 14796735

IUPACN-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
SMILESCN(C=O)C(=O)N(C=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2O3/c1-13(5-15)10(17)14(6-16)7-2-3-8(11)9(12)4-7/h2-6H,1H3
InChIKeyVCSJSOYIKZLBRE-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.16
Rot. Bonds3

About N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide

N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide (PubChem CID 14796735) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
PubChem CID14796735
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC NameN-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
SMILESCN(C=O)C(=O)N(C=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2O3/c1-13(5-15)10(17)14(6-16)7-2-3-8(11)9(12)4-7/h2-6H,1H3
InChIKeyVCSJSOYIKZLBRE-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide?
The IUPAC name of N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide (CID 14796735) is N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide is CN(C=O)C(=O)N(C=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide?
The InChIKey is VCSJSOYIKZLBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c1-13(5-15)10(17)14(6-16)7-2-3-8(11)9(12)4-7/h2-6H,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide?
N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide has a molecular weight of 275.09 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide is sourced from PubChem (CID 14796735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).