N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C10H11ClFNO — CID 60628558

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3
InChIKeyCIBXFDAPTVUYKO-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.46
Rot. Bonds2

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 60628558) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID60628558
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3
InChIKeyCIBXFDAPTVUYKO-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
CID 60628603
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 60628558) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is CIBXFDAPTVUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 215.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60628558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).