4-(ethylamino)-3,5-difluoro-N-methylbenzamide

C10H12F2N2O — CID 63187176

IUPAC4-(ethylamino)-3,5-difluoro-N-methylbenzamide
SMILESCCNc1c(F)cc(C(=O)NC)cc1F
InChIInChI=1S/C10H12F2N2O/c1-3-14-9-7(11)4-6(5-8(9)12)10(15)13-2/h4-5,14H,3H2,1-2H3,(H,13,15)
InChIKeyCLRXQXHHQVRNJI-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.76
Rot. Bonds3

About 4-(ethylamino)-3,5-difluoro-N-methylbenzamide

4-(ethylamino)-3,5-difluoro-N-methylbenzamide (PubChem CID 63187176) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-methylbenzamide
PubChem CID63187176
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name4-(ethylamino)-3,5-difluoro-N-methylbenzamide
SMILESCCNc1c(F)cc(C(=O)NC)cc1F
InChIInChI=1S/C10H12F2N2O/c1-3-14-9-7(11)4-6(5-8(9)12)10(15)13-2/h4-5,14H,3H2,1-2H3,(H,13,15)
InChIKeyCLRXQXHHQVRNJI-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 63183718
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
N-(2-cyclopentylethyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63185372
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-methylbenzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-methylbenzamide (CID 63187176) is 4-(ethylamino)-3,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-methylbenzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-methylbenzamide is CCNc1c(F)cc(C(=O)NC)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-methylbenzamide?
The InChIKey is CLRXQXHHQVRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-3-14-9-7(11)4-6(5-8(9)12)10(15)13-2/h4-5,14H,3H2,1-2H3,(H,13,15).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-methylbenzamide?
4-(ethylamino)-3,5-difluoro-N-methylbenzamide has a molecular weight of 214.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 63187176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).