N-[(4-chloro-2-fluorophenyl)methyl]formamide

C8H7ClFNO — CID 88924911

IUPACN-[(4-chloro-2-fluorophenyl)methyl]formamide
SMILESO=CNCc1ccc(Cl)cc1F
InChIInChI=1S/C8H7ClFNO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3,5H,4H2,(H,11,12)
InChIKeyRMTPTRNPQZRMST-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.73
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]formamide

N-[(4-chloro-2-fluorophenyl)methyl]formamide (PubChem CID 88924911) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]formamide
PubChem CID88924911
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]formamide
SMILESO=CNCc1ccc(Cl)cc1F
InChIInChI=1S/C8H7ClFNO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3,5H,4H2,(H,11,12)
InChIKeyRMTPTRNPQZRMST-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.73
H-Bond Donors ≤ 51
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-[(4-chloro-2-fluorophenyl)methyl]formamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]formamide (CID 88924911) is N-[(4-chloro-2-fluorophenyl)methyl]formamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]formamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]formamide is O=CNCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]formamide?
The InChIKey is RMTPTRNPQZRMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3,5H,4H2,(H,11,12).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]formamide?
N-[(4-chloro-2-fluorophenyl)methyl]formamide has a molecular weight of 187.60 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]formamide is sourced from PubChem (CID 88924911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).