N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide

C10H10ClF2NO — CID 118212780

IUPACN-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCl)c(F)c1F
InChIInChI=1S/C10H10ClF2NO/c1-6(15)14-5-8-3-2-7(4-11)9(12)10(8)13/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyIGYYKRKYEWBQLZ-UHFFFAOYSA-N
MW233.64 g/mol
LogP2.34
Rot. Bonds3

About N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide

N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide (PubChem CID 118212780) has the molecular formula C10H10ClF2NO and a molecular weight of 233.64 g/mol. Its IUPAC name is N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
PubChem CID118212780
Molecular FormulaC10H10ClF2NO
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC NameN-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCl)c(F)c1F
InChIInChI=1S/C10H10ClF2NO/c1-6(15)14-5-8-3-2-7(4-11)9(12)10(8)13/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyIGYYKRKYEWBQLZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
CID 142776330
5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid
CID 174819806
N-[(2,3,4-trihydroxyphenyl)methyl]acetamide
CID 160759755
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
N-[(2-fluoro-3-pyridinyl)methyl]acetamide
CID 130400765
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
4-(chloromethyl)-3-fluoro-2-methylbenzoic acid
CID 165441855
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide?
The IUPAC name of N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide (CID 118212780) is N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide is CC(=O)NCc1ccc(CCl)c(F)c1F.
What is the InChIKey of N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide?
The InChIKey is IGYYKRKYEWBQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c1-6(15)14-5-8-3-2-7(4-11)9(12)10(8)13/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide?
N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide has a molecular weight of 233.64 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide is sourced from PubChem (CID 118212780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).