N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide

C12H16ClFN2O — CID 115157979

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-3-15-7-12(17)16(2)8-9-4-5-11(14)10(13)6-9/h4-6,15H,3,7-8H2,1-2H3
InChIKeyPRSGDNHEBJIZBO-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide (PubChem CID 115157979) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
PubChem CID115157979
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-3-15-7-12(17)16(2)8-9-4-5-11(14)10(13)6-9/h4-6,15H,3,7-8H2,1-2H3
InChIKeyPRSGDNHEBJIZBO-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772570
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide (CID 115157979) is N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The InChIKey is PRSGDNHEBJIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-3-15-7-12(17)16(2)8-9-4-5-11(14)10(13)6-9/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide has a molecular weight of 258.72 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 115157979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).