N-(3-chloro-4-fluorophenyl)-N-ethylformamide

C9H9ClFNO — CID 10965560

IUPACN-(3-chloro-4-fluorophenyl)-N-ethylformamide
SMILESCCN(C=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-2-12(6-13)7-3-4-9(11)8(10)5-7/h3-6H,2H2,1H3
InChIKeyBWMWPJKYIIJAPK-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.46
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-N-ethylformamide

N-(3-chloro-4-fluorophenyl)-N-ethylformamide (PubChem CID 10965560) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-ethylformamide
PubChem CID10965560
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-ethylformamide
SMILESCCN(C=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-2-12(6-13)7-3-4-9(11)8(10)5-7/h3-6H,2H2,1H3
InChIKeyBWMWPJKYIIJAPK-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-4-fluorophenyl)-N-ethylformamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-ethylformamide (CID 10965560) is N-(3-chloro-4-fluorophenyl)-N-ethylformamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-ethylformamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-ethylformamide is CCN(C=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-ethylformamide?
The InChIKey is BWMWPJKYIIJAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-2-12(6-13)7-3-4-9(11)8(10)5-7/h3-6H,2H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-ethylformamide?
N-(3-chloro-4-fluorophenyl)-N-ethylformamide has a molecular weight of 201.63 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-ethylformamide is sourced from PubChem (CID 10965560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).