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

C9H8Cl2N2O2 — CID 4188382

IUPACN-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide
SMILESCN(C=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O2/c1-13(5-14)9(15)12-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,15)
InChIKeyZMQCIZFNPLHWDZ-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.61
Rot. Bonds2

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

N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide (PubChem CID 4188382) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide
PubChem CID4188382
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC NameN-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide
SMILESCN(C=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O2/c1-13(5-14)9(15)12-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,15)
InChIKeyZMQCIZFNPLHWDZ-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Triclocarban
CID 7547
Monuron
CID 8800
Monolinuron
CID 15629
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
Methazole
CID 4690
Monomethylmonuron
CID 79309
Neburon
CID 11145
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
3,3',4,4'-Tetrachlorocarbanilide
CID 95783

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide?
The IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide (CID 4188382) is N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide is CN(C=O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide?
The InChIKey is ZMQCIZFNPLHWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c1-13(5-14)9(15)12-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,15).
What are the key properties of N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide?
N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide has a molecular weight of 247.08 g/mol, XLogP of 2.61, 2 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-methylformamide is sourced from PubChem (CID 4188382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).