N-(2-chloro-3,5-difluorophenyl)formamide

C7H4ClF2NO — CID 168651358

IUPACN-(2-chloro-3,5-difluorophenyl)formamide
SMILESO=CNc1cc(F)cc(F)c1Cl
InChIInChI=1S/C7H4ClF2NO/c8-7-5(10)1-4(9)2-6(7)11-3-12/h1-3H,(H,11,12)
InChIKeyVOAIJPFOZITQIW-UHFFFAOYSA-N
MW191.56 g/mol
LogP2.19
Rot. Bonds2

About N-(2-chloro-3,5-difluorophenyl)formamide

N-(2-chloro-3,5-difluorophenyl)formamide (PubChem CID 168651358) has the molecular formula C7H4ClF2NO and a molecular weight of 191.56 g/mol. Its IUPAC name is N-(2-chloro-3,5-difluorophenyl)formamide.

Molecular Properties

Compound NameN-(2-chloro-3,5-difluorophenyl)formamide
PubChem CID168651358
Molecular FormulaC7H4ClF2NO
Molecular Weight191.56 g/mol
Exact Mass190.99
IUPAC NameN-(2-chloro-3,5-difluorophenyl)formamide
SMILESO=CNc1cc(F)cc(F)c1Cl
InChIInChI=1S/C7H4ClF2NO/c8-7-5(10)1-4(9)2-6(7)11-3-12/h1-3H,(H,11,12)
InChIKeyVOAIJPFOZITQIW-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.56
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-3,5-difluorophenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3,5-difluorophenyl)formamide?
The IUPAC name of N-(2-chloro-3,5-difluorophenyl)formamide (CID 168651358) is N-(2-chloro-3,5-difluorophenyl)formamide.
What is the SMILES notation for N-(2-chloro-3,5-difluorophenyl)formamide?
The canonical SMILES for N-(2-chloro-3,5-difluorophenyl)formamide is O=CNc1cc(F)cc(F)c1Cl.
What is the InChIKey of N-(2-chloro-3,5-difluorophenyl)formamide?
The InChIKey is VOAIJPFOZITQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO/c8-7-5(10)1-4(9)2-6(7)11-3-12/h1-3H,(H,11,12).
What are the key properties of N-(2-chloro-3,5-difluorophenyl)formamide?
N-(2-chloro-3,5-difluorophenyl)formamide has a molecular weight of 191.56 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3,5-difluorophenyl)formamide is sourced from PubChem (CID 168651358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).