N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide

C15H23FN2O — CID 79796018

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-8-18(10-9-17(3)4)15(19)13-7-6-12(2)11-14(13)16/h6-7,11H,5,8-10H2,1-4H3
InChIKeyCFEMLAJINVSURH-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide

N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide (PubChem CID 79796018) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
PubChem CID79796018
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-8-18(10-9-17(3)4)15(19)13-7-6-12(2)11-14(13)16/h6-7,11H,5,8-10H2,1-4H3
InChIKeyCFEMLAJINVSURH-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
CID 81005126
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide (CID 79796018) is N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1ccc(C)cc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide?
The InChIKey is CFEMLAJINVSURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-8-18(10-9-17(3)4)15(19)13-7-6-12(2)11-14(13)16/h6-7,11H,5,8-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 79796018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).