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

C16H13FN4O2 — CID 47049179

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1
InChIInChI=1S/C16H13FN4O2/c1-23-13-4-2-3-11(7-13)16(22)20-12-5-6-15(14(17)8-12)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyRKUXCWVPAXFGMR-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.67
Rot. Bonds4

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

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 47049179) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide
PubChem CID47049179
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1
InChIInChI=1S/C16H13FN4O2/c1-23-13-4-2-3-11(7-13)16(22)20-12-5-6-15(14(17)8-12)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyRKUXCWVPAXFGMR-UHFFFAOYSA-N
XLogP2.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 52660649
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 55813445
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 47049176
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 87008563
5-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 47066791
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methylsulfonyl-5-nitrobenzamide
CID 47892621
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide (CID 47049179) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is RKUXCWVPAXFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-13-4-2-3-11(7-13)16(22)20-12-5-6-15(14(17)8-12)21-10-18-9-19-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 312.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 47049179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).