N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide

C14H13FN2O2 — CID 28866814

IUPACN-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(F)c2)cc1N
InChIInChI=1S/C14H13FN2O2/c1-19-13-6-5-11(8-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUKUBGTDMYGTKIU-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.67
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide

N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide (PubChem CID 28866814) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
PubChem CID28866814
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(F)c2)cc1N
InChIInChI=1S/C14H13FN2O2/c1-19-13-6-5-11(8-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUKUBGTDMYGTKIU-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide (CID 28866814) is N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide is COc1ccc(NC(=O)c2cccc(F)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide?
The InChIKey is UKUBGTDMYGTKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-13-6-5-11(8-12(13)16)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide?
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 28866814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).