N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide

C14H21FN2O — CID 62648944

IUPACN-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cccc(F)c1NC
InChIInChI=1S/C14H21FN2O/c1-5-17(9-10(2)3)14(18)11-7-6-8-12(15)13(11)16-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyKZHBWCMFVANFSL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide

N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide (PubChem CID 62648944) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
PubChem CID62648944
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cccc(F)c1NC
InChIInChI=1S/C14H21FN2O/c1-5-17(9-10(2)3)14(18)11-7-6-8-12(15)13(11)16-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyKZHBWCMFVANFSL-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
CID 113478177
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide (CID 62648944) is N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1cccc(F)c1NC.
What is the InChIKey of N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is KZHBWCMFVANFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-17(9-10(2)3)14(18)11-7-6-8-12(15)13(11)16-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide?
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 252.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 62648944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).