3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide

C19H19FN4O3 — CID 52660649

IUPAC3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1OCC
InChIInChI=1S/C19H19FN4O3/c1-3-26-17-8-5-13(9-18(17)27-4-2)19(25)23-14-6-7-16(15(20)10-14)24-12-21-11-22-24/h5-12H,3-4H2,1-2H3,(H,23,25)
InChIKeyBNTHODFJHTVLJI-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.46
Rot. Bonds7

About 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide

3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 52660649) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID52660649
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1OCC
InChIInChI=1S/C19H19FN4O3/c1-3-26-17-8-5-13(9-18(17)27-4-2)19(25)23-14-6-7-16(15(20)10-14)24-12-21-11-22-24/h5-12H,3-4H2,1-2H3,(H,23,25)
InChIKeyBNTHODFJHTVLJI-UHFFFAOYSA-N
XLogP3.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 55813445
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide
CID 47049179
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934411
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55813227
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87008563
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 47049176

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 52660649) is 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is BNTHODFJHTVLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-3-26-17-8-5-13(9-18(17)27-4-2)19(25)23-14-6-7-16(15(20)10-14)24-12-21-11-22-24/h5-12H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 52660649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).