2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide

C10H12ClFN2O — CID 43214947

IUPAC2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-13-10(15)6-14-5-7-2-3-8(12)4-9(7)11/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKeyVVVDRWNHWQODCT-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.31
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide

2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide (PubChem CID 43214947) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
PubChem CID43214947
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-13-10(15)6-14-5-7-2-3-8(12)4-9(7)11/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKeyVVVDRWNHWQODCT-UHFFFAOYSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
methyl 4-[(2-chloro-4-fluorophenyl)methylamino]butanoate
CID 83321645
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
4-[(2-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 64913736
2-[(2,6-dichlorophenyl)methylamino]-N-methylacetamide
CID 43214388
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
N-[(2-chloro-4-fluorophenyl)methyl]-7-methyloctan-1-amine
CID 103604958
N-[(2-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 28563338

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide (CID 43214947) is 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide is CNC(=O)CNCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide?
The InChIKey is VVVDRWNHWQODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-13-10(15)6-14-5-7-2-3-8(12)4-9(7)11/h2-4,14H,5-6H2,1H3,(H,13,15).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide?
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide has a molecular weight of 230.67 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 43214947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).