4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide

C13H18F2N2O — CID 63187051

IUPAC4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
SMILESCCNc1c(F)cc(C(=O)N(C)C(C)C)cc1F
InChIInChI=1S/C13H18F2N2O/c1-5-16-12-10(14)6-9(7-11(12)15)13(18)17(4)8(2)3/h6-8,16H,5H2,1-4H3
InChIKeyYAVLPZCFKXMVCO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.88
Rot. Bonds4

About 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide

4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide (PubChem CID 63187051) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
PubChem CID63187051
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
SMILESCCNc1c(F)cc(C(=O)N(C)C(C)C)cc1F
InChIInChI=1S/C13H18F2N2O/c1-5-16-12-10(14)6-9(7-11(12)15)13(18)17(4)8(2)3/h6-8,16H,5H2,1-4H3
InChIKeyYAVLPZCFKXMVCO-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
CID 63187095
3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
CID 63186596
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 63185045
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
N-ethyl-4-(ethylamino)-3,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63185704
3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
CID 63185592
4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide (CID 63187051) is 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide is CCNc1c(F)cc(C(=O)N(C)C(C)C)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is YAVLPZCFKXMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-5-16-12-10(14)6-9(7-11(12)15)13(18)17(4)8(2)3/h6-8,16H,5H2,1-4H3.
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide?
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 63187051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).