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

C14H20F2N2O — CID 63184100

IUPAC4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(F)c(NCC)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-6-9(3)18-14(19)10-7-11(15)13(17-5-2)12(16)8-10/h7-9,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyQCKNMBHWKFWLPD-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.32
Rot. Bonds6

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

4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide (PubChem CID 63184100) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
PubChem CID63184100
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(F)c(NCC)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-6-9(3)18-14(19)10-7-11(15)13(17-5-2)12(16)8-10/h7-9,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyQCKNMBHWKFWLPD-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
N-(4-ethylsulfanylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113245328
4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 63183718

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide (CID 63184100) is 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cc(F)c(NCC)c(F)c1.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide?
The InChIKey is QCKNMBHWKFWLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-6-9(3)18-14(19)10-7-11(15)13(17-5-2)12(16)8-10/h7-9,17H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide?
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide has a molecular weight of 270.32 g/mol, XLogP of 3.32, 6 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-pentan-2-ylbenzamide is sourced from PubChem (CID 63184100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).