2-chloro-4-(fluoromethyl)benzamide

C8H7ClFNO — CID 57254997

IUPAC2-chloro-4-(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(CF)cc1Cl
InChIInChI=1S/C8H7ClFNO/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyVCJUKDDSDOCIQP-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.91
Rot. Bonds2

About 2-chloro-4-(fluoromethyl)benzamide

2-chloro-4-(fluoromethyl)benzamide (PubChem CID 57254997) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-chloro-4-(fluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(fluoromethyl)benzamide
PubChem CID57254997
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-chloro-4-(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(CF)cc1Cl
InChIInChI=1S/C8H7ClFNO/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyVCJUKDDSDOCIQP-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(fluoromethyl)benzamide?
The IUPAC name of 2-chloro-4-(fluoromethyl)benzamide (CID 57254997) is 2-chloro-4-(fluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-4-(fluoromethyl)benzamide?
The canonical SMILES for 2-chloro-4-(fluoromethyl)benzamide is NC(=O)c1ccc(CF)cc1Cl.
What is the InChIKey of 2-chloro-4-(fluoromethyl)benzamide?
The InChIKey is VCJUKDDSDOCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,4H2,(H2,11,12).
What are the key properties of 2-chloro-4-(fluoromethyl)benzamide?
2-chloro-4-(fluoromethyl)benzamide has a molecular weight of 187.60 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(fluoromethyl)benzamide is sourced from PubChem (CID 57254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).