N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide

C14H19FN2O — CID 79776956

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C)C2CC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-10-3-6-12(13(15)9-10)14(18)16-7-8-17(2)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyBIXFBGHYKXZAFG-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide (PubChem CID 79776956) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
PubChem CID79776956
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C)C2CC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-10-3-6-12(13(15)9-10)14(18)16-7-8-17(2)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyBIXFBGHYKXZAFG-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 144540979
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328
N-(2-bromoethyl)-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 80665330
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide (CID 79776956) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCN(C)C2CC2)c(F)c1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
The InChIKey is BIXFBGHYKXZAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-3-6-12(13(15)9-10)14(18)16-7-8-17(2)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79776956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).