N-[(3-chloro-4-fluorophenyl)methyl]acetamide

C9H9ClFNO — CID 52852300

IUPACN-[(3-chloro-4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-6(13)12-5-7-2-3-9(11)8(10)4-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBFUJHSKALXJBQS-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.12
Rot. Bonds2

About N-[(3-chloro-4-fluorophenyl)methyl]acetamide

N-[(3-chloro-4-fluorophenyl)methyl]acetamide (PubChem CID 52852300) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]acetamide
PubChem CID52852300
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-6(13)12-5-7-2-3-9(11)8(10)4-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBFUJHSKALXJBQS-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]acetamide (CID 52852300) is N-[(3-chloro-4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]acetamide is CC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The InChIKey is BFUJHSKALXJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-6(13)12-5-7-2-3-9(11)8(10)4-7/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]acetamide has a molecular weight of 201.63 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 52852300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).