N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide

C15H13ClFNO — CID 56920126

IUPACN-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)NCc1ccccc1
InChIInChI=1S/C15H13ClFNO/c16-13-7-6-12(14(17)9-13)8-15(19)18-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19)
InChIKeySWPLPKPEEIMNOS-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide

N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 56920126) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
PubChem CID56920126
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)NCc1ccccc1
InChIInChI=1S/C15H13ClFNO/c16-13-7-6-12(14(17)9-13)8-15(19)18-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19)
InChIKeySWPLPKPEEIMNOS-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100626606
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide (CID 56920126) is N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is SWPLPKPEEIMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-7-6-12(14(17)9-13)8-15(19)18-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19).
What are the key properties of N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide?
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide has a molecular weight of 277.73 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 56920126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).