3,4-dichloro-N-methylaniline;N-phenylformamide

C14H14Cl2N2O — CID 178016715

IUPAC3,4-dichloro-N-methylaniline;N-phenylformamide
SMILESCNc1ccc(Cl)c(Cl)c1.O=CNc1ccccc1
InChIInChI=1S/C7H7Cl2N.C7H7NO/c1-10-5-2-3-6(8)7(9)4-5;9-6-8-7-4-2-1-3-5-7/h2-4,10H,1H3;1-6H,(H,8,9)
InChIKeyGPTRWUUJCZYFDS-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.29
Rot. Bonds3

About 3,4-dichloro-N-methylaniline;N-phenylformamide

3,4-dichloro-N-methylaniline;N-phenylformamide (PubChem CID 178016715) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3,4-dichloro-N-methylaniline;N-phenylformamide.

Molecular Properties

Compound Name3,4-dichloro-N-methylaniline;N-phenylformamide
PubChem CID178016715
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3,4-dichloro-N-methylaniline;N-phenylformamide
SMILESCNc1ccc(Cl)c(Cl)c1.O=CNc1ccccc1
InChIInChI=1S/C7H7Cl2N.C7H7NO/c1-10-5-2-3-6(8)7(9)4-5;9-6-8-7-4-2-1-3-5-7/h2-4,10H,1H3;1-6H,(H,8,9)
InChIKeyGPTRWUUJCZYFDS-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methylaniline;N-phenylformamide?
The IUPAC name of 3,4-dichloro-N-methylaniline;N-phenylformamide (CID 178016715) is 3,4-dichloro-N-methylaniline;N-phenylformamide.
What is the SMILES notation for 3,4-dichloro-N-methylaniline;N-phenylformamide?
The canonical SMILES for 3,4-dichloro-N-methylaniline;N-phenylformamide is CNc1ccc(Cl)c(Cl)c1.O=CNc1ccccc1.
What is the InChIKey of 3,4-dichloro-N-methylaniline;N-phenylformamide?
The InChIKey is GPTRWUUJCZYFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N.C7H7NO/c1-10-5-2-3-6(8)7(9)4-5;9-6-8-7-4-2-1-3-5-7/h2-4,10H,1H3;1-6H,(H,8,9).
What are the key properties of 3,4-dichloro-N-methylaniline;N-phenylformamide?
3,4-dichloro-N-methylaniline;N-phenylformamide has a molecular weight of 297.19 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methylaniline;N-phenylformamide is sourced from PubChem (CID 178016715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).