4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide

C14H13F2N3O — CID 63187094

IUPAC4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
SMILESCCNc1c(F)cc(C(=O)Nc2cccnc2)cc1F
InChIInChI=1S/C14H13F2N3O/c1-2-18-13-11(15)6-9(7-12(13)16)14(20)19-10-4-3-5-17-8-10/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyVTWYUGCXEQYMOY-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.04
Rot. Bonds4

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

4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide (PubChem CID 63187094) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
PubChem CID63187094
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
SMILESCCNc1c(F)cc(C(=O)Nc2cccnc2)cc1F
InChIInChI=1S/C14H13F2N3O/c1-2-18-13-11(15)6-9(7-12(13)16)14(20)19-10-4-3-5-17-8-10/h3-8,18H,2H2,1H3,(H,19,20)
InChIKeyVTWYUGCXEQYMOY-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-pyridin-3-ylbenzamide
CID 55158095
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-(ethylamino)-6-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81235839
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide (CID 63187094) is 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide is CCNc1c(F)cc(C(=O)Nc2cccnc2)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide?
The InChIKey is VTWYUGCXEQYMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-2-18-13-11(15)6-9(7-12(13)16)14(20)19-10-4-3-5-17-8-10/h3-8,18H,2H2,1H3,(H,19,20).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide?
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 63187094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).