2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide

C13H16ClFN2O — CID 62538780

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNCc1ccc(F)c(Cl)c1)C1CC1
InChIInChI=1S/C13H16ClFN2O/c1-17(10-3-4-10)13(18)8-16-7-9-2-5-12(15)11(14)6-9/h2,5-6,10,16H,3-4,7-8H2,1H3
InChIKeyAHZAZZBFRGGWIH-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide

2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide (PubChem CID 62538780) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
PubChem CID62538780
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNCc1ccc(F)c(Cl)c1)C1CC1
InChIInChI=1S/C13H16ClFN2O/c1-17(10-3-4-10)13(18)8-16-7-9-2-5-12(15)11(14)6-9/h2,5-6,10,16H,3-4,7-8H2,1H3
InChIKeyAHZAZZBFRGGWIH-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 61488726
(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 106437714
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461
2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923577
butyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 55086734
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
methyl 4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzoate
CID 62537765
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide (CID 62538780) is 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide is CN(C(=O)CNCc1ccc(F)c(Cl)c1)C1CC1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide?
The InChIKey is AHZAZZBFRGGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-17(10-3-4-10)13(18)8-16-7-9-2-5-12(15)11(14)6-9/h2,5-6,10,16H,3-4,7-8H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide?
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide has a molecular weight of 270.73 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 62538780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).